1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile

C13H19N3 — CID 107160820

IUPAC1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CC2(CC#N)CC2)CC1
InChIInChI=1S/C13H19N3/c1-12(10-15)5-8-16(9-6-12)11-13(2-3-13)4-7-14/h2-6,8-9,11H2,1H3
InChIKeySEIKAEIZMIXVCL-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.31
Rot. Bonds3

About 1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile

1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile (PubChem CID 107160820) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile
PubChem CID107160820
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CC2(CC#N)CC2)CC1
InChIInChI=1S/C13H19N3/c1-12(10-15)5-8-16(9-6-12)11-13(2-3-13)4-7-14/h2-6,8-9,11H2,1H3
InChIKeySEIKAEIZMIXVCL-UHFFFAOYSA-N
XLogP2.31
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile 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

2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65492809
1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 113362979
2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile
CID 65494248
1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile
CID 103993957
2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495067
2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65494259
2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495085
2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 66291202
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopropyl]acetonitrile
CID 115559887
1-(4-hydroxybutyl)-4-methylpiperidine-4-carbonitrile
CID 103994156
2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65496978
4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile
CID 102672948

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile (CID 107160820) is 1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(CC2(CC#N)CC2)CC1.
What is the InChIKey of 1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile?
The InChIKey is SEIKAEIZMIXVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-12(10-15)5-8-16(9-6-12)11-13(2-3-13)4-7-14/h2-6,8-9,11H2,1H3.
What are the key properties of 1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile?
1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 107160820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).