(2S)-2-(cyclohexylmethyl)piperidine

C12H23N — CID 51377530

IUPAC(2S)-2-(cyclohexylmethyl)piperidine
SMILESC1CCC(C[C@@H]2CCCCN2)CC1
InChIInChI=1S/C12H23N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h11-13H,1-10H2/t12-/m0/s1
InChIKeyWKYVKENYQAXODJ-LBPRGKRZSA-N
MW181.32 g/mol
LogP3.10
Rot. Bonds2

About (2S)-2-(cyclohexylmethyl)piperidine

(2S)-2-(cyclohexylmethyl)piperidine (PubChem CID 51377530) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2S)-2-(cyclohexylmethyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(cyclohexylmethyl)piperidine
PubChem CID51377530
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2S)-2-(cyclohexylmethyl)piperidine
SMILESC1CCC(C[C@@H]2CCCCN2)CC1
InChIInChI=1S/C12H23N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h11-13H,1-10H2/t12-/m0/s1
InChIKeyWKYVKENYQAXODJ-LBPRGKRZSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cycloheptylmethyl)piperidine
CID 79006754
(2R)-2-(cyclobutylmethyl)piperidine
CID 99737651
2-(cyclobutylmethyl)pyrrolidine
CID 77248341
2-[(3,5-dimethylcyclohexyl)methyl]piperidine
CID 64731136
[(2S)-azepan-2-yl]methanol
CID 870731
2-(fluoromethyl)azocane
CID 170142115
2-(thietan-3-ylmethyl)pyrrolidine
CID 83905279
2-(oxiran-2-ylmethyl)piperidine
CID 175333700
5-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010596
(3R)-3-(cyclohexylmethyl)morpholine
CID 132580034
[(2S)-azepan-2-yl]methanol;hydrochloride
CID 163198382
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylmethyl)piperidine?
The IUPAC name of (2S)-2-(cyclohexylmethyl)piperidine (CID 51377530) is (2S)-2-(cyclohexylmethyl)piperidine.
What is the SMILES notation for (2S)-2-(cyclohexylmethyl)piperidine?
The canonical SMILES for (2S)-2-(cyclohexylmethyl)piperidine is C1CCC(C[C@@H]2CCCCN2)CC1.
What is the InChIKey of (2S)-2-(cyclohexylmethyl)piperidine?
The InChIKey is WKYVKENYQAXODJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H23N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h11-13H,1-10H2/t12-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylmethyl)piperidine?
(2S)-2-(cyclohexylmethyl)piperidine has a molecular weight of 181.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylmethyl)piperidine is sourced from PubChem (CID 51377530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).