3-chloro-1-propan-2-ylpiperidine

C8H16ClN — CID 63386890

IUPAC3-chloro-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(Cl)C1
InChIInChI=1S/C8H16ClN/c1-7(2)10-5-3-4-8(9)6-10/h7-8H,3-6H2,1-2H3
InChIKeyZZVZKLWXUPXMSK-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.10
Rot. Bonds1

About 3-chloro-1-propan-2-ylpiperidine

3-chloro-1-propan-2-ylpiperidine (PubChem CID 63386890) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 3-chloro-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-chloro-1-propan-2-ylpiperidine
PubChem CID63386890
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name3-chloro-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(Cl)C1
InChIInChI=1S/C8H16ClN/c1-7(2)10-5-3-4-8(9)6-10/h7-8H,3-6H2,1-2H3
InChIKeyZZVZKLWXUPXMSK-UHFFFAOYSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-1-propan-2-ylpiperidine 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

CID 12244193
CID 12244193
CID 149031
CID 149031
CID 79625
CID 79625
CID 155521059
CID 155521059
CID 155534892
CID 155534892
CID 3016566
CID 3016566
CID 12432704
CID 12432704
CID 3084922
CID 3084922
CID 123517
CID 123517
CID 102761
CID 102761
CID 21123220
CID 21123220
CID 137935664
CID 137935664

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-propan-2-ylpiperidine?
The IUPAC name of 3-chloro-1-propan-2-ylpiperidine (CID 63386890) is 3-chloro-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-chloro-1-propan-2-ylpiperidine?
The canonical SMILES for 3-chloro-1-propan-2-ylpiperidine is CC(C)N1CCCC(Cl)C1.
What is the InChIKey of 3-chloro-1-propan-2-ylpiperidine?
The InChIKey is ZZVZKLWXUPXMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-7(2)10-5-3-4-8(9)6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-chloro-1-propan-2-ylpiperidine?
3-chloro-1-propan-2-ylpiperidine has a molecular weight of 161.68 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-propan-2-ylpiperidine is sourced from PubChem (CID 63386890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).