1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine

C16H26N2O — CID 116951266

IUPAC1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
SMILESCNC(c1cc(C)c(C)cc1OC)C1CCCNC1
InChIInChI=1S/C16H26N2O/c1-11-8-14(15(19-4)9-12(11)2)16(17-3)13-6-5-7-18-10-13/h8-9,13,16-18H,5-7,10H2,1-4H3
InChIKeyLZADPUDWWPQLJH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine

1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 116951266) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID116951266
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
SMILESCNC(c1cc(C)c(C)cc1OC)C1CCCNC1
InChIInChI=1S/C16H26N2O/c1-11-8-14(15(19-4)9-12(11)2)16(17-3)13-6-5-7-18-10-13/h8-9,13,16-18H,5-7,10H2,1-4H3
InChIKeyLZADPUDWWPQLJH-UHFFFAOYSA-N
XLogP2.57
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951284
1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951034
1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65433147
N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)-1-piperidin-3-ylmethanamine
CID 116951313
1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951010
1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951278
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine
CID 116936357
4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120707170
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 116950716
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine (CID 116951266) is 1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine is CNC(c1cc(C)c(C)cc1OC)C1CCCNC1.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is LZADPUDWWPQLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-8-14(15(19-4)9-12(11)2)16(17-3)13-6-5-7-18-10-13/h8-9,13,16-18H,5-7,10H2,1-4H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine?
1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 116951266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).