1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine

C16H25ClN2O — CID 62643809

IUPAC1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
SMILESCCOC1CCN(CCC(N)c2ccccc2Cl)CC1
InChIInChI=1S/C16H25ClN2O/c1-2-20-13-7-10-19(11-8-13)12-9-16(18)14-5-3-4-6-15(14)17/h3-6,13,16H,2,7-12,18H2,1H3
InChIKeySHIJFMWGYHYQQM-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.23
Rot. Bonds6

About 1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine

1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine (PubChem CID 62643809) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
PubChem CID62643809
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
SMILESCCOC1CCN(CCC(N)c2ccccc2Cl)CC1
InChIInChI=1S/C16H25ClN2O/c1-2-20-13-7-10-19(11-8-13)12-9-16(18)14-5-3-4-6-15(14)17/h3-6,13,16H,2,7-12,18H2,1H3
InChIKeySHIJFMWGYHYQQM-UHFFFAOYSA-N
XLogP3.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62630612
1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine
CID 113418867
1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62617221
1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589024
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine
CID 62630611
3-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126355
1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62644751
1-(4-bromo-2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 82775693
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol
CID 112553476
3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 103538996

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine (CID 62643809) is 1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine is CCOC1CCN(CCC(N)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine?
The InChIKey is SHIJFMWGYHYQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-2-20-13-7-10-19(11-8-13)12-9-16(18)14-5-3-4-6-15(14)17/h3-6,13,16H,2,7-12,18H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine?
1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine has a molecular weight of 296.84 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62643809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).