3-chloro-1-cyclohexyl-2-methylpiperidine

C12H22ClN — CID 130979196

IUPAC3-chloro-1-cyclohexyl-2-methylpiperidine
SMILESCC1C(Cl)CCCN1C1CCCCC1
InChIInChI=1S/C12H22ClN/c1-10-12(13)8-5-9-14(10)11-6-3-2-4-7-11/h10-12H,2-9H2,1H3
InChIKeyNMXPQNCWORMBGI-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.41
Rot. Bonds1

About 3-chloro-1-cyclohexyl-2-methylpiperidine

3-chloro-1-cyclohexyl-2-methylpiperidine (PubChem CID 130979196) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 3-chloro-1-cyclohexyl-2-methylpiperidine.

Molecular Properties

Compound Name3-chloro-1-cyclohexyl-2-methylpiperidine
PubChem CID130979196
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name3-chloro-1-cyclohexyl-2-methylpiperidine
SMILESCC1C(Cl)CCCN1C1CCCCC1
InChIInChI=1S/C12H22ClN/c1-10-12(13)8-5-9-14(10)11-6-3-2-4-7-11/h10-12H,2-9H2,1H3
InChIKeyNMXPQNCWORMBGI-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 130934256
3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine
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[(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine
CID 96604453
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
3-(chloromethyl)-1-cyclopentyl-2-methylpyrrolidine
CID 130920880
4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
CID 130143986
1-cyclohexyl-2,3-dimethylpiperidin-4-amine
CID 79398517
(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 14734985
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
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4-(2,3-dimethylpiperidin-1-yl)azepane
CID 63903287
2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine
CID 83846817
4-(2,3-dimethylpiperidin-1-yl)cyclohexan-1-amine
CID 62807794

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-cyclohexyl-2-methylpiperidine?
The IUPAC name of 3-chloro-1-cyclohexyl-2-methylpiperidine (CID 130979196) is 3-chloro-1-cyclohexyl-2-methylpiperidine.
What is the SMILES notation for 3-chloro-1-cyclohexyl-2-methylpiperidine?
The canonical SMILES for 3-chloro-1-cyclohexyl-2-methylpiperidine is CC1C(Cl)CCCN1C1CCCCC1.
What is the InChIKey of 3-chloro-1-cyclohexyl-2-methylpiperidine?
The InChIKey is NMXPQNCWORMBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c1-10-12(13)8-5-9-14(10)11-6-3-2-4-7-11/h10-12H,2-9H2,1H3.
What are the key properties of 3-chloro-1-cyclohexyl-2-methylpiperidine?
3-chloro-1-cyclohexyl-2-methylpiperidine has a molecular weight of 215.77 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-cyclohexyl-2-methylpiperidine is sourced from PubChem (CID 130979196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).