(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine

C16H25NO2 — CID 26458149

IUPAC(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
SMILESCOc1ccc(CN2CCC[C@H](C)C2)c(OC)c1C
InChIInChI=1S/C16H25NO2/c1-12-6-5-9-17(10-12)11-14-7-8-15(18-3)13(2)16(14)19-4/h7-8,12H,5-6,9-11H2,1-4H3/t12-/m0/s1
InChIKeyCPZRJBXSFFVIST-LBPRGKRZSA-N
MW263.38 g/mol
LogP3.24
Rot. Bonds4

About (3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine

(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine (PubChem CID 26458149) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
PubChem CID26458149
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
SMILESCOc1ccc(CN2CCC[C@H](C)C2)c(OC)c1C
InChIInChI=1S/C16H25NO2/c1-12-6-5-9-17(10-12)11-14-7-8-15(18-3)13(2)16(14)19-4/h7-8,12H,5-6,9-11H2,1-4H3/t12-/m0/s1
InChIKeyCPZRJBXSFFVIST-LBPRGKRZSA-N
XLogP3.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
CID 26458710
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine
CID 754053
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360
1-[(1R,3R)-3-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148348
1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine
CID 45174653
1-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
CID 168511341
3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 170587779
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-pyrrolidin-3-ylpiperazine
CID 74245091

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine?
The IUPAC name of (3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine (CID 26458149) is (3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine.
What is the SMILES notation for (3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine?
The canonical SMILES for (3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine is COc1ccc(CN2CCC[C@H](C)C2)c(OC)c1C.
What is the InChIKey of (3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine?
The InChIKey is CPZRJBXSFFVIST-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-5-9-17(10-12)11-14-7-8-15(18-3)13(2)16(14)19-4/h7-8,12H,5-6,9-11H2,1-4H3/t12-/m0/s1.
What are the key properties of (3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine?
(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine has a molecular weight of 263.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 26458149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).