(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine

C14H21NO2 — CID 96674039

IUPAC(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
SMILESCOc1cc([C@@H]2CCCNC2)c(OC)cc1C
InChIInChI=1S/C14H21NO2/c1-10-7-14(17-3)12(8-13(10)16-2)11-5-4-6-15-9-11/h7-8,11,15H,4-6,9H2,1-3H3/t11-/m1/s1
InChIKeyHXDQVNPJVZMKTC-LLVKDONJSA-N
MW235.33 g/mol
LogP2.48
Rot. Bonds3

About (3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine

(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine (PubChem CID 96674039) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
PubChem CID96674039
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
SMILESCOc1cc([C@@H]2CCCNC2)c(OC)cc1C
InChIInChI=1S/C14H21NO2/c1-10-7-14(17-3)12(8-13(10)16-2)11-5-4-6-15-9-11/h7-8,11,15H,4-6,9H2,1-3H3/t11-/m1/s1
InChIKeyHXDQVNPJVZMKTC-LLVKDONJSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2,5-dimethoxy-4-methylphenyl)-1-methylpiperidine;(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine;hydrochloride
CID 160731871
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine
CID 117489901
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
CID 117430926
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
(3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine
CID 178136922

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine?
The IUPAC name of (3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine (CID 96674039) is (3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine.
What is the SMILES notation for (3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine?
The canonical SMILES for (3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine is COc1cc([C@@H]2CCCNC2)c(OC)cc1C.
What is the InChIKey of (3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine?
The InChIKey is HXDQVNPJVZMKTC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-14(17-3)12(8-13(10)16-2)11-5-4-6-15-9-11/h7-8,11,15H,4-6,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine?
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine has a molecular weight of 235.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine is sourced from PubChem (CID 96674039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).