N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine

C10H19ClN2 — CID 107900391

IUPACN-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NC/C=C/Cl
InChIInChI=1S/C10H19ClN2/c1-9-8-13(2)7-4-10(9)12-6-3-5-11/h3,5,9-10,12H,4,6-8H2,1-2H3/b5-3+
InChIKeyVWBJVPDQUNRBJV-HWKANZROSA-N
MW202.73 g/mol
LogP1.67
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine

N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 107900391) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine
PubChem CID107900391
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NC/C=C/Cl
InChIInChI=1S/C10H19ClN2/c1-9-8-13(2)7-4-10(9)12-6-3-5-11/h3,5,9-10,12H,4,6-8H2,1-2H3/b5-3+
InChIKeyVWBJVPDQUNRBJV-HWKANZROSA-N
XLogP1.67
TPSA15.27 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine 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

1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 115615391
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine
CID 107899997
1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
CID 115705278
1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine
CID 114503399
(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906380
1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
CID 176675930
1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 115615367
N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine
CID 114503218
(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol
CID 104931127
1,3-dimethyl-N-(2-methylcyclobutyl)piperidin-4-amine
CID 130171575
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 114448901

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine (CID 107900391) is N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NC/C=C/Cl.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is VWBJVPDQUNRBJV-HWKANZROSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-9-8-13(2)7-4-10(9)12-6-3-5-11/h3,5,9-10,12H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine?
N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 202.73 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 107900391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).