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

C12H16ClNO — CID 94259889

IUPAC(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
SMILESCOc1ccc(Cl)cc1[C@@H]1CCCNC1
InChIInChI=1S/C12H16ClNO/c1-15-12-5-4-10(13)7-11(12)9-3-2-6-14-8-9/h4-5,7,9,14H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyIENRIEAYAYYFPP-SECBINFHSA-N
MW225.72 g/mol
LogP2.82
Rot. Bonds2

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

(3S)-3-(5-chloro-2-methoxyphenyl)piperidine (PubChem CID 94259889) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (3S)-3-(5-chloro-2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
PubChem CID94259889
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
SMILESCOc1ccc(Cl)cc1[C@@H]1CCCNC1
InChIInChI=1S/C12H16ClNO/c1-15-12-5-4-10(13)7-11(12)9-3-2-6-14-8-9/h4-5,7,9,14H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyIENRIEAYAYYFPP-SECBINFHSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-piperidin-3-ylphenol
CID 117296244
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine
CID 117387978
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole
CID 84639760

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-chloro-2-methoxyphenyl)piperidine?
The IUPAC name of (3S)-3-(5-chloro-2-methoxyphenyl)piperidine (CID 94259889) is (3S)-3-(5-chloro-2-methoxyphenyl)piperidine.
What is the SMILES notation for (3S)-3-(5-chloro-2-methoxyphenyl)piperidine?
The canonical SMILES for (3S)-3-(5-chloro-2-methoxyphenyl)piperidine is COc1ccc(Cl)cc1[C@@H]1CCCNC1.
What is the InChIKey of (3S)-3-(5-chloro-2-methoxyphenyl)piperidine?
The InChIKey is IENRIEAYAYYFPP-SECBINFHSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-12-5-4-10(13)7-11(12)9-3-2-6-14-8-9/h4-5,7,9,14H,2-3,6,8H2,1H3/t9-/m1/s1.
What are the key properties of (3S)-3-(5-chloro-2-methoxyphenyl)piperidine?
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine has a molecular weight of 225.72 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-chloro-2-methoxyphenyl)piperidine is sourced from PubChem (CID 94259889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).