3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine

C9H15Cl2N — CID 106439945

IUPAC3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
SMILESCC(=CCl)CN1CCCC(Cl)C1
InChIInChI=1S/C9H15Cl2N/c1-8(5-10)6-12-4-2-3-9(11)7-12/h5,9H,2-4,6-7H2,1H3
InChIKeyXSJCJYFRXGLXAY-UHFFFAOYSA-N
MW208.13 g/mol
LogP2.83
Rot. Bonds2

About 3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine

3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine (PubChem CID 106439945) has the molecular formula C9H15Cl2N and a molecular weight of 208.13 g/mol. Its IUPAC name is 3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine.

Molecular Properties

Compound Name3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
PubChem CID106439945
Molecular FormulaC9H15Cl2N
Molecular Weight208.13 g/mol
Exact Mass207.06
IUPAC Name3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
SMILESCC(=CCl)CN1CCCC(Cl)C1
InChIInChI=1S/C9H15Cl2N/c1-8(5-10)6-12-4-2-3-9(11)7-12/h5,9H,2-4,6-7H2,1H3
InChIKeyXSJCJYFRXGLXAY-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine 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-chloro-2-methylprop-2-enyl)piperidin-3-ol
CID 106439835
(3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine
CID 106439538
4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439936
N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 106438729
3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine
CID 106440086
1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid
CID 106439191
1-(2-methylbut-2-enyl)piperidine-3-carboxamide
CID 2845933
4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid
CID 77006059
1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine
CID 106440306
3-chloro-1-(2-ethylbutyl)piperidine
CID 82924534
3-chloro-1-(2-methoxyethyl)piperidine
CID 63386779
2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine
CID 63387040

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine?
The IUPAC name of 3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine (CID 106439945) is 3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine.
What is the SMILES notation for 3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine?
The canonical SMILES for 3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine is CC(=CCl)CN1CCCC(Cl)C1.
What is the InChIKey of 3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine?
The InChIKey is XSJCJYFRXGLXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2N/c1-8(5-10)6-12-4-2-3-9(11)7-12/h5,9H,2-4,6-7H2,1H3.
What are the key properties of 3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine?
3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine has a molecular weight of 208.13 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine is sourced from PubChem (CID 106439945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).