(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine

C16H25NO — CID 26458710

IUPAC(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
SMILESCOc1ccc(CN2CCC[C@H](C)C2)c(C)c1C
InChIInChI=1S/C16H25NO/c1-12-6-5-9-17(10-12)11-15-7-8-16(18-4)14(3)13(15)2/h7-8,12H,5-6,9-11H2,1-4H3/t12-/m0/s1
InChIKeyQMBKJKXXFBRETI-LBPRGKRZSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds3

About (3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine

(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine (PubChem CID 26458710) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
PubChem CID26458710
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
SMILESCOc1ccc(CN2CCC[C@H](C)C2)c(C)c1C
InChIInChI=1S/C16H25NO/c1-12-6-5-9-17(10-12)11-15-7-8-16(18-4)14(3)13(15)2/h7-8,12H,5-6,9-11H2,1-4H3/t12-/m0/s1
InChIKeyQMBKJKXXFBRETI-LBPRGKRZSA-N
XLogP3.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
CID 26458149
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine
CID 45174653
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
4-ethyl-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 56741932
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360
2-(2,4-dimethoxyphenyl)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947426
1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
CID 168511341
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 170587779
1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpiperidine
CID 65326691
ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
CID 144598997

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine?
The IUPAC name of (3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine (CID 26458710) is (3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine.
What is the SMILES notation for (3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine?
The canonical SMILES for (3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine is COc1ccc(CN2CCC[C@H](C)C2)c(C)c1C.
What is the InChIKey of (3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine?
The InChIKey is QMBKJKXXFBRETI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-5-9-17(10-12)11-15-7-8-16(18-4)14(3)13(15)2/h7-8,12H,5-6,9-11H2,1-4H3/t12-/m0/s1.
What are the key properties of (3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine?
(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine has a molecular weight of 247.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 26458710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).