(2S)-2-(3-chloro-5-methoxyphenyl)piperidine

C12H16ClNO — CID 131500091

IUPAC(2S)-2-(3-chloro-5-methoxyphenyl)piperidine
SMILESCOc1cc(Cl)cc([C@@H]2CCCCN2)c1
InChIInChI=1S/C12H16ClNO/c1-15-11-7-9(6-10(13)8-11)12-4-2-3-5-14-12/h6-8,12,14H,2-5H2,1H3/t12-/m0/s1
InChIKeyAJKXUQNRRZGJRE-LBPRGKRZSA-N
MW225.72 g/mol
LogP3.16
Rot. Bonds2

About (2S)-2-(3-chloro-5-methoxyphenyl)piperidine

(2S)-2-(3-chloro-5-methoxyphenyl)piperidine (PubChem CID 131500091) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2S)-2-(3-chloro-5-methoxyphenyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(3-chloro-5-methoxyphenyl)piperidine
PubChem CID131500091
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2S)-2-(3-chloro-5-methoxyphenyl)piperidine
SMILESCOc1cc(Cl)cc([C@@H]2CCCCN2)c1
InChIInChI=1S/C12H16ClNO/c1-15-11-7-9(6-10(13)8-11)12-4-2-3-5-14-12/h6-8,12,14H,2-5H2,1H3/t12-/m0/s1
InChIKeyAJKXUQNRRZGJRE-LBPRGKRZSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-5-methylphenyl)piperidine
CID 84781097
3-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 130624742
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
2-(2,5-dichloro-3-methoxyphenyl)piperidine
CID 117404132
(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
CID 66518568
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-5-methoxyphenyl)piperidine?
The IUPAC name of (2S)-2-(3-chloro-5-methoxyphenyl)piperidine (CID 131500091) is (2S)-2-(3-chloro-5-methoxyphenyl)piperidine.
What is the SMILES notation for (2S)-2-(3-chloro-5-methoxyphenyl)piperidine?
The canonical SMILES for (2S)-2-(3-chloro-5-methoxyphenyl)piperidine is COc1cc(Cl)cc([C@@H]2CCCCN2)c1.
What is the InChIKey of (2S)-2-(3-chloro-5-methoxyphenyl)piperidine?
The InChIKey is AJKXUQNRRZGJRE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-11-7-9(6-10(13)8-11)12-4-2-3-5-14-12/h6-8,12,14H,2-5H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-(3-chloro-5-methoxyphenyl)piperidine?
(2S)-2-(3-chloro-5-methoxyphenyl)piperidine has a molecular weight of 225.72 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloro-5-methoxyphenyl)piperidine is sourced from PubChem (CID 131500091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).