2-amino-1-benzylpiperidine-4-carbonitrile

C13H17N3 — CID 141163059

IUPAC2-amino-1-benzylpiperidine-4-carbonitrile
SMILESN#CC1CCN(Cc2ccccc2)C(N)C1
InChIInChI=1S/C13H17N3/c14-9-12-6-7-16(13(15)8-12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-8,10,15H2
InChIKeyHYJBZKMWERLPRD-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.71
Rot. Bonds2

About 2-amino-1-benzylpiperidine-4-carbonitrile

2-amino-1-benzylpiperidine-4-carbonitrile (PubChem CID 141163059) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-amino-1-benzylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-benzylpiperidine-4-carbonitrile
PubChem CID141163059
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-amino-1-benzylpiperidine-4-carbonitrile
SMILESN#CC1CCN(Cc2ccccc2)C(N)C1
InChIInChI=1S/C13H17N3/c14-9-12-6-7-16(13(15)8-12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-8,10,15H2
InChIKeyHYJBZKMWERLPRD-UHFFFAOYSA-N
XLogP1.71
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-benzylpiperidin-2-amine
CID 97050484
3-benzyl-3-azabicyclo[4.1.0]heptane-2-carbonitrile
CID 84679202
4-amino-1-benzyl-2-methylpyrrolidine-3-carbonitrile
CID 130863192
1-benzylazetidine-3-carbonitrile
CID 19814762
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile
CID 15639095
1-benzylpiperidine-3-carbonitrile
CID 22931257
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
1-benzyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020253
(1-benzyl-2-methylpiperidin-4-yl)cyanamide
CID 130964411
(3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
CID 162367950
1-benzyl-2-ethyl-3-oxopiperidine-4-carbonitrile
CID 83851093
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-benzylpiperidine-4-carbonitrile?
The IUPAC name of 2-amino-1-benzylpiperidine-4-carbonitrile (CID 141163059) is 2-amino-1-benzylpiperidine-4-carbonitrile.
What is the SMILES notation for 2-amino-1-benzylpiperidine-4-carbonitrile?
The canonical SMILES for 2-amino-1-benzylpiperidine-4-carbonitrile is N#CC1CCN(Cc2ccccc2)C(N)C1.
What is the InChIKey of 2-amino-1-benzylpiperidine-4-carbonitrile?
The InChIKey is HYJBZKMWERLPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-9-12-6-7-16(13(15)8-12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-8,10,15H2.
What are the key properties of 2-amino-1-benzylpiperidine-4-carbonitrile?
2-amino-1-benzylpiperidine-4-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-benzylpiperidine-4-carbonitrile is sourced from PubChem (CID 141163059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).