1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine

C15H24N2O2 — CID 82122424

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
SMILESCOc1ccc(CN2CCC(C)(N)CC2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-15(16)6-8-17(9-7-15)11-12-4-5-13(18-2)14(10-12)19-3/h4-5,10H,6-9,11,16H2,1-3H3
InChIKeyBRYBMILHOUVUTJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.02
Rot. Bonds4

About 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine

1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine (PubChem CID 82122424) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
PubChem CID82122424
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
SMILESCOc1ccc(CN2CCC(C)(N)CC2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-15(16)6-8-17(9-7-15)11-12-4-5-13(18-2)14(10-12)19-3/h4-5,10H,6-9,11,16H2,1-3H3
InChIKeyBRYBMILHOUVUTJ-UHFFFAOYSA-N
XLogP2.02
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 65338758
[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785590
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60677001
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
(3S,4S)-9-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164694106
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790956
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107403894
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962
1-[(4-hydroperoxy-3-methoxyphenyl)methyl]-4-methylpiperidine
CID 143148512

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine (CID 82122424) is 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine is COc1ccc(CN2CCC(C)(N)CC2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine?
The InChIKey is BRYBMILHOUVUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(16)6-8-17(9-7-15)11-12-4-5-13(18-2)14(10-12)19-3/h4-5,10H,6-9,11,16H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine?
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 82122424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).