1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine

C18H30N2O — CID 102965616

IUPAC1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(C)N2CCCC(OC)C2)cc1
InChIInChI=1S/C18H30N2O/c1-5-15-8-10-16(11-9-15)18(19-3)14(2)20-12-6-7-17(13-20)21-4/h8-11,14,17-19H,5-7,12-13H2,1-4H3
InChIKeyATZCPPAZVRILQS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.01
Rot. Bonds6

About 1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine

1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine (PubChem CID 102965616) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
PubChem CID102965616
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(C)N2CCCC(OC)C2)cc1
InChIInChI=1S/C18H30N2O/c1-5-15-8-10-16(11-9-15)18(19-3)14(2)20-12-6-7-17(13-20)21-4/h8-11,14,17-19H,5-7,12-13H2,1-4H3
InChIKeyATZCPPAZVRILQS-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-ethylphenyl)-2-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103532374
1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine
CID 63624077
3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine
CID 102965543
2-N-cyclopentyl-2-N-ethyl-1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 63468460
2-(2,4-dimethylpiperidin-1-yl)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 63469851
3-(3-methoxypiperidin-1-yl)-2-methylbutan-1-amine
CID 102968184
4-[1-(3-methoxypiperidin-1-yl)propyl]phenol
CID 102969248
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62986927
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495133
methanol;3-methoxy-1-propan-2-ylpiperidine
CID 172576314

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine (CID 102965616) is 1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine is CCc1ccc(C(NC)C(C)N2CCCC(OC)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is ATZCPPAZVRILQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-15-8-10-16(11-9-15)18(19-3)14(2)20-12-6-7-17(13-20)21-4/h8-11,14,17-19H,5-7,12-13H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine?
1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 102965616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).