1,4-diaminopiperidine-4-carbonitrile

C6H12N4 — CID 142484897

IUPAC1,4-diaminopiperidine-4-carbonitrile
SMILESN#CC1(N)CCN(N)CC1
InChIInChI=1S/C6H12N4/c7-5-6(8)1-3-10(9)4-2-6/h1-4,8-9H2
InChIKeyJMASWLNZQDIXQI-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.82
Rot. Bonds

About 1,4-diaminopiperidine-4-carbonitrile

1,4-diaminopiperidine-4-carbonitrile (PubChem CID 142484897) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1,4-diaminopiperidine-4-carbonitrile.

Molecular Properties

Compound Name1,4-diaminopiperidine-4-carbonitrile
PubChem CID142484897
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1,4-diaminopiperidine-4-carbonitrile
SMILESN#CC1(N)CCN(N)CC1
InChIInChI=1S/C6H12N4/c7-5-6(8)1-3-10(9)4-2-6/h1-4,8-9H2
InChIKeyJMASWLNZQDIXQI-UHFFFAOYSA-N
XLogP-0.82
TPSA79.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-ethylpyrrolidine-3-carbonitrile
CID 117012936
4-amino-1-(2-cyanophenyl)piperidine-4-carbonitrile
CID 117013110
4-amino-1-(4-tert-butylphenyl)piperidine-4-carbonitrile
CID 117013067
4-amino-1-(3,4-dimethylphenyl)piperidine-4-carbonitrile
CID 117013054
4-amino-1-pyridin-2-ylpiperidine-4-carbonitrile
CID 170991125
4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile
CID 117013111
4-amino-1-(1,3-benzodioxol-5-yl)piperidine-4-carbonitrile
CID 117013108
4-amino-1-(3-bromo-4-methylphenyl)piperidine-4-carbonitrile
CID 117013082
(4R)-4-amino-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azepane-4-carbonitrile
CID 163450077
2-aminospiro[3.3]heptane-2-carbonitrile
CID 131553755
4-(4-acetylpiperazin-1-yl)-1-aminocyclohexane-1-carbonitrile
CID 117038162
tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate
CID 86330831

Frequently Asked Questions

What is the IUPAC name of 1,4-diaminopiperidine-4-carbonitrile?
The IUPAC name of 1,4-diaminopiperidine-4-carbonitrile (CID 142484897) is 1,4-diaminopiperidine-4-carbonitrile.
What is the SMILES notation for 1,4-diaminopiperidine-4-carbonitrile?
The canonical SMILES for 1,4-diaminopiperidine-4-carbonitrile is N#CC1(N)CCN(N)CC1.
What is the InChIKey of 1,4-diaminopiperidine-4-carbonitrile?
The InChIKey is JMASWLNZQDIXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c7-5-6(8)1-3-10(9)4-2-6/h1-4,8-9H2.
What are the key properties of 1,4-diaminopiperidine-4-carbonitrile?
1,4-diaminopiperidine-4-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diaminopiperidine-4-carbonitrile is sourced from PubChem (CID 142484897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).