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4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile

4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile

CAS: 180847-37-4

Formula: C14H18N2O

SMILES: OCC1CCN(CC2=CC=C(C=C2)C#N)CC1

IUPAC: 4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}benzonitrile

InChI: InChI=1S/C14H18N2O/c15-9-12-1-3-13(4-2-12)10-16-7-5-14(11-17)6-8-16/h1-4,14,17H,5-8,10-11H2

Composition: C (73.01%), H (7.88%), N (12.16%), O (6.95%)

Molar Mass: 230.311

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.141913208
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SDMNKWJZZNHXCA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.86
Topological Polar Surface Area 47.26
Polarizability 26.47
Ring Count 2
Rotatable Bond Count 3

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