(2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine

C10H20ClN — CID 12923591

IUPAC(2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine
SMILESC[C@@H]1CCC[C@H](C)N1CCCCl
InChIInChI=1S/C10H20ClN/c1-9-5-3-6-10(2)12(9)8-4-7-11/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKeyVOGQZKPKCZDFBF-AOOOYVTPSA-N
MW189.73 g/mol
LogP2.88
Rot. Bonds3

About (2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine

(2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine (PubChem CID 12923591) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is (2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name(2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine
PubChem CID12923591
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name(2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine
SMILESC[C@@H]1CCC[C@H](C)N1CCCCl
InChIInChI=1S/C10H20ClN/c1-9-5-3-6-10(2)12(9)8-4-7-11/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKeyVOGQZKPKCZDFBF-AOOOYVTPSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine?
The IUPAC name of (2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine (CID 12923591) is (2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine.
What is the SMILES notation for (2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine?
The canonical SMILES for (2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine is C[C@@H]1CCC[C@H](C)N1CCCCl.
What is the InChIKey of (2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine?
The InChIKey is VOGQZKPKCZDFBF-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H20ClN/c1-9-5-3-6-10(2)12(9)8-4-7-11/h9-10H,3-8H2,1-2H3/t9-,10+.
What are the key properties of (2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine?
(2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine has a molecular weight of 189.73 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-(3-chloropropyl)-2,6-dimethylpiperidine is sourced from PubChem (CID 12923591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).