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4-[4-(hydroxymethyl)piperidin-1-yl]benzonitrile

4-[4-(hydroxymethyl)piperidin-1-yl]benzonitrile

CAS: 162997-46-8

Formula: C13H16N2O

SMILES: OCC1CCN(CC1)C1=CC=C(C=C1)C#N

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

InChI: InChI=1S/C13H16N2O/c14-9-11-1-3-13(4-2-11)15-7-5-12(10-16)6-8-15/h1-4,12,16H,5-8,10H2

Composition: C (72.19%), H (7.46%), N (12.95%), O (7.40%)

Molar Mass: 216.284

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 216.126263143
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FVDXAMHRFMBLPT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.75
Topological Polar Surface Area 47.26
Polarizability 24.24
Ring Count 2
Rotatable Bond Count 2

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