2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile

C13H23N3 — CID 79716528

IUPAC2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCN(CC1CCNCC1)CC1(CC#N)CC1
InChIInChI=1S/C13H23N3/c1-16(10-12-2-8-15-9-3-12)11-13(4-5-13)6-7-14/h12,15H,2-6,8-11H2,1H3
InChIKeyFFROCUPOTJVTHI-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.61
Rot. Bonds5

About 2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 79716528) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID79716528
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCN(CC1CCNCC1)CC1(CC#N)CC1
InChIInChI=1S/C13H23N3/c1-16(10-12-2-8-15-9-3-12)11-13(4-5-13)6-7-14/h12,15H,2-6,8-11H2,1H3
InChIKeyFFROCUPOTJVTHI-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]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

N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 65013492
2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile
CID 65493823
2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile
CID 115319150
N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79717113
1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242434
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63633209
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381
N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine
CID 130458996
azane;N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 175907731
2-[1-[(4-methylpiperidin-3-yl)oxymethyl]cyclopropyl]acetonitrile
CID 102954293
2-[1-(2-pyrrolidin-3-ylethoxymethyl)cyclopropyl]acetonitrile
CID 114796160
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63631821

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile (CID 79716528) is 2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile is CN(CC1CCNCC1)CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is FFROCUPOTJVTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-16(10-12-2-8-15-9-3-12)11-13(4-5-13)6-7-14/h12,15H,2-6,8-11H2,1H3.
What are the key properties of 2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 221.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(piperidin-4-ylmethyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 79716528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).