3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine

C18H30N2O — CID 62630611

IUPAC3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine
SMILESCCOC1CCN(CCC(NC)c2ccccc2C)CC1
InChIInChI=1S/C18H30N2O/c1-4-21-16-9-12-20(13-10-16)14-11-18(19-3)17-8-6-5-7-15(17)2/h5-8,16,18-19H,4,9-14H2,1-3H3
InChIKeyPYGNPSFEWXGLAN-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.15
Rot. Bonds7

About 3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine

3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine (PubChem CID 62630611) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine
PubChem CID62630611
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine
SMILESCCOC1CCN(CCC(NC)c2ccccc2C)CC1
InChIInChI=1S/C18H30N2O/c1-4-21-16-9-12-20(13-10-16)14-11-18(19-3)17-8-6-5-7-15(17)2/h5-8,16,18-19H,4,9-14H2,1-3H3
InChIKeyPYGNPSFEWXGLAN-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
1-(2-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62630612
1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62643809
1-(2-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103538884
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
CID 62630396
N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62630412
N-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline
CID 61216518
4-(4-ethoxypiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63027329
1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62644958
1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine (CID 62630611) is 3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine is CCOC1CCN(CCC(NC)c2ccccc2C)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine?
The InChIKey is PYGNPSFEWXGLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-21-16-9-12-20(13-10-16)14-11-18(19-3)17-8-6-5-7-15(17)2/h5-8,16,18-19H,4,9-14H2,1-3H3.
What are the key properties of 3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine?
3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 62630611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).