(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride

C14H22ClNO — CID 171195127

IUPAC(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
SMILESCOc1c(C)cc([C@@H]2CCCCN2)cc1C.Cl
InChIInChI=1S/C14H21NO.ClH/c1-10-8-12(9-11(2)14(10)16-3)13-6-4-5-7-15-13;/h8-9,13,15H,4-7H2,1-3H3;1H/t13-;/m0./s1
InChIKeyONOGAULYOPIOFQ-ZOWNYOTGSA-N
MW255.79 g/mol
LogP3.55
Rot. Bonds2

About (2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride

(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride (PubChem CID 171195127) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
PubChem CID171195127
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
SMILESCOc1c(C)cc([C@@H]2CCCCN2)cc1C.Cl
InChIInChI=1S/C14H21NO.ClH/c1-10-8-12(9-11(2)14(10)16-3)13-6-4-5-7-15-13;/h8-9,13,15H,4-7H2,1-3H3;1H/t13-;/m0./s1
InChIKeyONOGAULYOPIOFQ-ZOWNYOTGSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride
CID 171196939
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
CID 117397971
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2,3-dimethoxy-5-piperidin-2-ylbenzonitrile
CID 117368230
2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
(2S)-2-(3-chloro-5-methoxyphenyl)piperidine
CID 131500091

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride?
The IUPAC name of (2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride (CID 171195127) is (2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride?
The canonical SMILES for (2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride is COc1c(C)cc([C@@H]2CCCCN2)cc1C.Cl.
What is the InChIKey of (2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride?
The InChIKey is ONOGAULYOPIOFQ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-10-8-12(9-11(2)14(10)16-3)13-6-4-5-7-15-13;/h8-9,13,15H,4-7H2,1-3H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride?
(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 171195127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).