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(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}phenyl)methanol

(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}phenyl)methanol

CAS: 1100598-48-8

Formula: C18H23N3O2

SMILES: CN1CCC(COC2=CN=C(N=C2)C2=CC(CO)=CC=C2)CC1

IUPAC: (3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}phenyl)methanol

InChI: InChI=1S/C18H23N3O2/c1-21-7-5-14(6-8-21)13-23-17-10-19-18(20-11-17)16-4-2-3-15(9-16)12-22/h2-4,9-11,14,22H,5-8,12-13H2,1H3

Composition: C (68.98%), H (7.40%), N (13.41%), O (10.21%)

Molar Mass: 313.401

Atom Count: 46

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 313.179026993
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey RKSFCTQWIPYSLR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.68
Topological Polar Surface Area 58.48
Polarizability 35.64
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1100598-48-8 $734.16-$1,737.08$734.16$734.16$1,737.08$1,737.08
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1100598-48-8 $372.00$372.00
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