[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine

C10H19ClN2 — CID 77015374

IUPAC[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(CC=CCl)C1CN
InChIInChI=1S/C10H19ClN2/c1-9-4-2-6-13(7-3-5-11)10(9)8-12/h3,5,9-10H,2,4,6-8,12H2,1H3
InChIKeyJYLCPNLXHXAUQG-UHFFFAOYSA-N
MW202.73 g/mol
LogP1.80
Rot. Bonds3

About [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine

[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine (PubChem CID 77015374) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine
PubChem CID77015374
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(CC=CCl)C1CN
InChIInChI=1S/C10H19ClN2/c1-9-4-2-6-13(7-3-5-11)10(9)8-12/h3,5,9-10H,2,4,6-8,12H2,1H3
InChIKeyJYLCPNLXHXAUQG-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine 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

4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine
CID 77110314
[1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine
CID 76919196
1-[(E)-3-chloroprop-2-enyl]-2,3-dimethylpyrrolidine
CID 131241942
[1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine
CID 103441569
[(2R,3S)-1,3-dimethylpiperidin-2-yl]methanamine
CID 124835848
(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine
CID 107008015
[1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 104575650
(1-cyclopropyl-3-methylpiperidin-2-yl)methanamine
CID 103439574
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785626
1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine
CID 76991003
[3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 113457157
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119926190

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine (CID 77015374) is [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine is CC1CCCN(CC=CCl)C1CN.
What is the InChIKey of [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine?
The InChIKey is JYLCPNLXHXAUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-9-4-2-6-13(7-3-5-11)10(9)8-12/h3,5,9-10H,2,4,6-8,12H2,1H3.
What are the key properties of [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine?
[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine has a molecular weight of 202.73 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 77015374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).