(3S)-3-cyclohexylpiperidine

C11H21N — CID 7016473

IUPAC(3S)-3-cyclohexylpiperidine
SMILESC1CCC([C@@H]2CCCNC2)CC1
InChIInChI=1S/C11H21N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h10-12H,1-9H2/t11-/m1/s1
InChIKeyLEQKPQQOCKLKHK-LLVKDONJSA-N
MW167.30 g/mol
LogP2.57
Rot. Bonds1

About (3S)-3-cyclohexylpiperidine

(3S)-3-cyclohexylpiperidine (PubChem CID 7016473) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3S)-3-cyclohexylpiperidine.

Molecular Properties

Compound Name(3S)-3-cyclohexylpiperidine
PubChem CID7016473
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3S)-3-cyclohexylpiperidine
SMILESC1CCC([C@@H]2CCCNC2)CC1
InChIInChI=1S/C11H21N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h10-12H,1-9H2/t11-/m1/s1
InChIKeyLEQKPQQOCKLKHK-LLVKDONJSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexylpiperidine?
The IUPAC name of (3S)-3-cyclohexylpiperidine (CID 7016473) is (3S)-3-cyclohexylpiperidine.
What is the SMILES notation for (3S)-3-cyclohexylpiperidine?
The canonical SMILES for (3S)-3-cyclohexylpiperidine is C1CCC([C@@H]2CCCNC2)CC1.
What is the InChIKey of (3S)-3-cyclohexylpiperidine?
The InChIKey is LEQKPQQOCKLKHK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h10-12H,1-9H2/t11-/m1/s1.
What are the key properties of (3S)-3-cyclohexylpiperidine?
(3S)-3-cyclohexylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexylpiperidine is sourced from PubChem (CID 7016473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).