2-chloro-3-cyclohexylpiperidine

C11H20ClN — CID 89323550

IUPAC2-chloro-3-cyclohexylpiperidine
SMILESClC1NCCCC1C1CCCCC1
InChIInChI=1S/C11H20ClN/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h9-11,13H,1-8H2
InChIKeySMSYJSBPHAPXSQ-UHFFFAOYSA-N
MW201.74 g/mol
LogP3.13
Rot. Bonds1

About 2-chloro-3-cyclohexylpiperidine

2-chloro-3-cyclohexylpiperidine (PubChem CID 89323550) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 2-chloro-3-cyclohexylpiperidine.

Molecular Properties

Compound Name2-chloro-3-cyclohexylpiperidine
PubChem CID89323550
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name2-chloro-3-cyclohexylpiperidine
SMILESClC1NCCCC1C1CCCCC1
InChIInChI=1S/C11H20ClN/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h9-11,13H,1-8H2
InChIKeySMSYJSBPHAPXSQ-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 137398080
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
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1-chloro-2-cyclopentylcycloheptane
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CID 4031549
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
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(2S)-2-cyclohexylpiperidine
CID 7016471
2-cyclodecylazecane
CID 126739440
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-cyclohexylpiperidine?
The IUPAC name of 2-chloro-3-cyclohexylpiperidine (CID 89323550) is 2-chloro-3-cyclohexylpiperidine.
What is the SMILES notation for 2-chloro-3-cyclohexylpiperidine?
The canonical SMILES for 2-chloro-3-cyclohexylpiperidine is ClC1NCCCC1C1CCCCC1.
What is the InChIKey of 2-chloro-3-cyclohexylpiperidine?
The InChIKey is SMSYJSBPHAPXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h9-11,13H,1-8H2.
What are the key properties of 2-chloro-3-cyclohexylpiperidine?
2-chloro-3-cyclohexylpiperidine has a molecular weight of 201.74 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-cyclohexylpiperidine is sourced from PubChem (CID 89323550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).