2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile

C16H20N4 — CID 79867743

IUPAC2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
SMILESCC1CN(Cc2cn3ccccc3c2C#N)CCC1N
InChIInChI=1S/C16H20N4/c1-12-9-19(7-5-15(12)18)10-13-11-20-6-3-2-4-16(20)14(13)8-17/h2-4,6,11-12,15H,5,7,9-10,18H2,1H3
InChIKeyYHPLKUOTIBTMFR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.98
Rot. Bonds2

About 2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile

2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile (PubChem CID 79867743) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
PubChem CID79867743
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
SMILESCC1CN(Cc2cn3ccccc3c2C#N)CCC1N
InChIInChI=1S/C16H20N4/c1-12-9-19(7-5-15(12)18)10-13-11-20-6-3-2-4-16(20)14(13)8-17/h2-4,6,11-12,15H,5,7,9-10,18H2,1H3
InChIKeyYHPLKUOTIBTMFR-UHFFFAOYSA-N
XLogP1.98
TPSA57.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-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-[(4-formylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 62653943
2-[[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 98763904
2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 95610800
ethyl 1-[(1-cyanoindolizin-2-yl)methyl]piperidine-4-carboxylate
CID 51322364
2-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 95291066
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile
CID 62673499
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile
CID 71899945
2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
CID 95283741
2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 134045205
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 18133538
2-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-fluorobenzonitrile
CID 79868700

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile (CID 79867743) is 2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile is CC1CN(Cc2cn3ccccc3c2C#N)CCC1N.
What is the InChIKey of 2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile?
The InChIKey is YHPLKUOTIBTMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-9-19(7-5-15(12)18)10-13-11-20-6-3-2-4-16(20)14(13)8-17/h2-4,6,11-12,15H,5,7,9-10,18H2,1H3.
What are the key properties of 2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile?
2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 79867743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).