4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile

C16H22N2O — CID 110884410

IUPAC4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
SMILESN#CCCCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O/c17-10-4-5-11-18-12-8-15(9-13-18)16(19)14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-9,11-13H2
InChIKeyZVEUAEZXSJOQGS-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.74
Rot. Bonds5

About 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile

4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile (PubChem CID 110884410) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile.

Molecular Properties

Compound Name4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
PubChem CID110884410
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
SMILESN#CCCCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O/c17-10-4-5-11-18-12-8-15(9-13-18)16(19)14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-9,11-13H2
InChIKeyZVEUAEZXSJOQGS-UHFFFAOYSA-N
XLogP2.74
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 111022318
phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
CID 110884402
4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 33349056
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
CID 110908629
cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol
CID 144757762
4-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanenitrile
CID 111490109
tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 110903431

Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile?
The IUPAC name of 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile (CID 110884410) is 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile.
What is the SMILES notation for 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile?
The canonical SMILES for 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile is N#CCCCN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile?
The InChIKey is ZVEUAEZXSJOQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-10-4-5-11-18-12-8-15(9-13-18)16(19)14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-9,11-13H2.
What are the key properties of 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile?
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile has a molecular weight of 258.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile is sourced from PubChem (CID 110884410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).