1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine

C16H26N2O2 — CID 43315161

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(CCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C16H26N2O2/c1-17-14-7-10-18(11-8-14)9-6-13-4-5-15(19-2)16(12-13)20-3/h4-5,12,14,17H,6-11H2,1-3H3
InChIKeyFGFREIJUDSTTLZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.93
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine (PubChem CID 43315161) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
PubChem CID43315161
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(CCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C16H26N2O2/c1-17-14-7-10-18(11-8-14)9-6-13-4-5-15(19-2)16(12-13)20-3/h4-5,12,14,17H,6-11H2,1-3H3
InChIKeyFGFREIJUDSTTLZ-UHFFFAOYSA-N
XLogP1.93
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315157
1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 147131335
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 115299969
3,4-dichloro-N-[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]ethyl]aniline
CID 66996313
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl] benzoate;hydrochloride
CID 3077580
1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 43555074
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylate
CID 141241691
3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine
CID 68687798
1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 95468648
4-[2-(3,4-dimethoxyphenyl)ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113074544
1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine
CID 117469441

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine (CID 43315161) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine is CNC1CCN(CCc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine?
The InChIKey is FGFREIJUDSTTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-14-7-10-18(11-8-14)9-6-13-4-5-15(19-2)16(12-13)20-3/h4-5,12,14,17H,6-11H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine?
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 43315161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).