(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride

C14H22ClN — CID 171194841

IUPAC(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
SMILESCC(C)c1ccc([C@@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C14H21N.ClH/c1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;/h6-9,11,14-15H,3-5,10H2,1-2H3;1H/t14-;/m0./s1
InChIKeyNZEKMWLDFNIWTL-UQKRIMTDSA-N
MW239.79 g/mol
LogP4.05
Rot. Bonds2

About (2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride

(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride (PubChem CID 171194841) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is (2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
PubChem CID171194841
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
SMILESCC(C)c1ccc([C@@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C14H21N.ClH/c1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;/h6-9,11,14-15H,3-5,10H2,1-2H3;1H/t14-;/m0./s1
InChIKeyNZEKMWLDFNIWTL-UQKRIMTDSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
3-(4-propan-2-ylphenyl)-1,4-thiazepane
CID 66218524
(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine
CID 59628791
2-(4-tert-butylphenyl)piperidine
CID 4137790
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
2-[4-(dimethoxymethyl)phenyl]pyrrolidine
CID 84788037
1-(4-piperidin-2-ylphenyl)propan-2-ol
CID 117313125
4-piperidin-2-ylphenol
CID 19711202
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
(2S)-2-phenylpiperidine
CID 10997356
7-(4-propan-2-ylphenyl)azepan-2-one
CID 165499164
(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
CID 171195302

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride?
The IUPAC name of (2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride (CID 171194841) is (2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride?
The canonical SMILES for (2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride is CC(C)c1ccc([C@@H]2CCCCN2)cc1.Cl.
What is the InChIKey of (2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride?
The InChIKey is NZEKMWLDFNIWTL-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H21N.ClH/c1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;/h6-9,11,14-15H,3-5,10H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of (2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride?
(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride has a molecular weight of 239.79 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 171194841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).