2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile

C13H19N3 — CID 142349843

IUPAC2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile
SMILESCC1CN(C2=C(C#N)CCC=C2)CCC1N
InChIInChI=1S/C13H19N3/c1-10-9-16(7-6-12(10)15)13-5-3-2-4-11(13)8-14/h3,5,10,12H,2,4,6-7,9,15H2,1H3
InChIKeyJIDFTDXZIPZCES-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.78
Rot. Bonds1

About 2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile

2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile (PubChem CID 142349843) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile
PubChem CID142349843
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile
SMILESCC1CN(C2=C(C#N)CCC=C2)CCC1N
InChIInChI=1S/C13H19N3/c1-10-9-16(7-6-12(10)15)13-5-3-2-4-11(13)8-14/h3,5,10,12H,2,4,6-7,9,15H2,1H3
InChIKeyJIDFTDXZIPZCES-UHFFFAOYSA-N
XLogP1.78
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-Aminopiperidin-1-yl)-5-fluorocyclohexa-1,5-diene-1-carbonitrile
CID 142349705
1-(2-Fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 176553006
6-Methyl-1,2,3,4,4a,8a-hexahydroquinolin-5-amine
CID 22967243
1,2,3,4,4a,8a-Hexahydroquinoline-5-carbonitrile
CID 89290920
3-[(8-Amino-1,2,8,8a-tetrahydronaphthalen-1-yl)amino]butanenitrile
CID 89637066
4-[(3-Methylcyclohexa-1,5-dien-1-yl)amino]piperidine-4-carbonitrile
CID 89862889
(1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile
CID 90349886
N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine
CID 137428205
(2E)-2-[(Z)-1-[1-(3-aminopropyl)piperidin-4-yl]prop-1-enyl]penta-2,4-dienenitrile
CID 141995507
2-(4-Amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile;ethane
CID 142349842
ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine
CID 143207301
(2E)-2-[(E)-1-[4-(aminomethyl)piperidin-1-yl]prop-1-enyl]penta-2,4-dienenitrile;ethane
CID 143478721

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile (CID 142349843) is 2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile is CC1CN(C2=C(C#N)CCC=C2)CCC1N.
What is the InChIKey of 2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is JIDFTDXZIPZCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10-9-16(7-6-12(10)15)13-5-3-2-4-11(13)8-14/h3,5,10,12H,2,4,6-7,9,15H2,1H3.
What are the key properties of 2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile?
2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 142349843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).