1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile

C15H21N3O — CID 62588038

IUPAC1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile
SMILESN#CC1(NCCO)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H21N3O/c16-12-15(17-8-10-19)7-4-9-18(13-15)11-14-5-2-1-3-6-14/h1-3,5-6,17,19H,4,7-11,13H2
InChIKeySZDJOTZIBMTKHY-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.13
Rot. Bonds5

About 1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile

1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile (PubChem CID 62588038) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile
PubChem CID62588038
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile
SMILESN#CC1(NCCO)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H21N3O/c16-12-15(17-8-10-19)7-4-9-18(13-15)11-14-5-2-1-3-6-14/h1-3,5-6,17,19H,4,7-11,13H2
InChIKeySZDJOTZIBMTKHY-UHFFFAOYSA-N
XLogP1.13
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(2,2,2-trifluoroethylamino)piperidine-3-carbonitrile
CID 60998906
1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carbonitrile
CID 61005933
2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol
CID 65380537
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
tert-butyl N-[1-[(1-benzyl-3-cyanopyrrolidin-3-yl)carbamoyl]cyclohexyl]carbamate
CID 69415751
2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol
CID 66700957
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile?
The IUPAC name of 1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile (CID 62588038) is 1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile?
The canonical SMILES for 1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile is N#CC1(NCCO)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile?
The InChIKey is SZDJOTZIBMTKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-12-15(17-8-10-19)7-4-9-18(13-15)11-14-5-2-1-3-6-14/h1-3,5-6,17,19H,4,7-11,13H2.
What are the key properties of 1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile?
1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-hydroxyethylamino)piperidine-3-carbonitrile is sourced from PubChem (CID 62588038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).