2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile

C9H17N3 — CID 62548009

IUPAC2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
SMILESCN1CCCC(N(C)CC#N)C1
InChIInChI=1S/C9H17N3/c1-11-6-3-4-9(8-11)12(2)7-5-10/h9H,3-4,6-8H2,1-2H3
InChIKeyWLUZTKPJPABCFR-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.54
Rot. Bonds2

About 2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile

2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile (PubChem CID 62548009) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
PubChem CID62548009
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
SMILESCN1CCCC(N(C)CC#N)C1
InChIInChI=1S/C9H17N3/c1-11-6-3-4-9(8-11)12(2)7-5-10/h9H,3-4,6-8H2,1-2H3
InChIKeyWLUZTKPJPABCFR-UHFFFAOYSA-N
XLogP0.54
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexyl-4-ethylpiperazine
CID 44598131
1-Cyclohexyl-4-pentylpiperazine
CID 145990169
N-Isopropylpiperidine
CID 240410
1-(2-Cyanoethyl)-2-pipecoline
CID 574530
2-(2-Methylpiperidin-1-yl)acetonitrile
CID 22688889
2-(1,4-Dimethylpiperazin-2-yl)acetonitrile
CID 71756503
1-(((2S)-1-Methylpyrrolidin-2-yl)methyl)piperidine
CID 11126915
1-(Butan-2-yl)-4-cyclohexylpiperazine
CID 3150618
Cambridge id 5452134
CID 783765
(2,6-Dimethylpiperidin-1-yl)acetonitrile
CID 12765385
Piperidine, 1-(2-dimethylamino)ethyl-
CID 12294001
2-(Piperidin-1-yl)propanenitrile
CID 12957465

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile?
The IUPAC name of 2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile (CID 62548009) is 2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile?
The canonical SMILES for 2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile is CN1CCCC(N(C)CC#N)C1.
What is the InChIKey of 2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile?
The InChIKey is WLUZTKPJPABCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-11-6-3-4-9(8-11)12(2)7-5-10/h9H,3-4,6-8H2,1-2H3.
What are the key properties of 2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile?
2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile has a molecular weight of 167.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile is sourced from PubChem (CID 62548009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).