1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane

C15H22N2O — CID 144887397

IUPAC1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane
SMILESCC.N#CC1CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C13H16N2O.C2H6/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11;1-2/h1-5,12-13,16H,6-7,9-10H2;1-2H3
InChIKeyPRPAYIQHDSTVHI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.42
Rot. Bonds2

About 1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane

1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane (PubChem CID 144887397) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane.

Molecular Properties

Compound Name1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane
PubChem CID144887397
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane
SMILESCC.N#CC1CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C13H16N2O.C2H6/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11;1-2/h1-5,12-13,16H,6-7,9-10H2;1-2H3
InChIKeyPRPAYIQHDSTVHI-UHFFFAOYSA-N
XLogP2.42
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile
CID 125493415
(3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile
CID 178171793
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
1-benzylpiperidine-3-carbonitrile
CID 22931257
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol
CID 129427984
tert-butyl N-[(3S,4R)-1-benzyl-3-cyanopiperidin-4-yl]carbamate
CID 155294397

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane?
The IUPAC name of 1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane (CID 144887397) is 1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane.
What is the SMILES notation for 1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane?
The canonical SMILES for 1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane is CC.N#CC1CCN(Cc2ccccc2)CC1O.
What is the InChIKey of 1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane?
The InChIKey is PRPAYIQHDSTVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C2H6/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11;1-2/h1-5,12-13,16H,6-7,9-10H2;1-2H3.
What are the key properties of 1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane?
1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane has a molecular weight of 246.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane is sourced from PubChem (CID 144887397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).