1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine

C16H26N2O2 — CID 81457163

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(Cc2ccc(OC)cc2OC)CCC1N
InChIInChI=1S/C16H26N2O2/c1-4-12-10-18(8-7-15(12)17)11-13-5-6-14(19-2)9-16(13)20-3/h5-6,9,12,15H,4,7-8,10-11,17H2,1-3H3
InChIKeyBFZMGMNFIOSEBI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.26
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine

1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine (PubChem CID 81457163) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
PubChem CID81457163
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(Cc2ccc(OC)cc2OC)CCC1N
InChIInChI=1S/C16H26N2O2/c1-4-12-10-18(8-7-15(12)17)11-13-5-6-14(19-2)9-16(13)20-3/h5-6,9,12,15H,4,7-8,10-11,17H2,1-3H3
InChIKeyBFZMGMNFIOSEBI-UHFFFAOYSA-N
XLogP2.26
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63362955
N-[[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63363167
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine
CID 81451585
1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine
CID 99955836
ethyl (3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylate
CID 1377071
(3S,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770144
3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine
CID 102875920
4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792832
2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
CID 62067190
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine (CID 81457163) is 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine is CCC1CN(Cc2ccc(OC)cc2OC)CCC1N.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine?
The InChIKey is BFZMGMNFIOSEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-12-10-18(8-7-15(12)17)11-13-5-6-14(19-2)9-16(13)20-3/h5-6,9,12,15H,4,7-8,10-11,17H2,1-3H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine?
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine is sourced from PubChem (CID 81457163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).