(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine

C15H23ClN2O — CID 78934855

IUPAC(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine
SMILESCCOC1CCN(c2ccc([C@H](C)N)cc2Cl)CC1
InChIInChI=1S/C15H23ClN2O/c1-3-19-13-6-8-18(9-7-13)15-5-4-12(11(2)17)10-14(15)16/h4-5,10-11,13H,3,6-9,17H2,1-2H3/t11-/m0/s1
InChIKeyWAMJOTCXTCMVII-NSHDSACASA-N
MW282.81 g/mol
LogP3.37
Rot. Bonds4

About (1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine

(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine (PubChem CID 78934855) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine
PubChem CID78934855
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine
SMILESCCOC1CCN(c2ccc([C@H](C)N)cc2Cl)CC1
InChIInChI=1S/C15H23ClN2O/c1-3-19-13-6-8-18(9-7-13)15-5-4-12(11(2)17)10-14(15)16/h4-5,10-11,13H,3,6-9,17H2,1-2H3/t11-/m0/s1
InChIKeyWAMJOTCXTCMVII-NSHDSACASA-N
XLogP3.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine (CID 78934855) is (1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine is CCOC1CCN(c2ccc([C@H](C)N)cc2Cl)CC1.
What is the InChIKey of (1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine?
The InChIKey is WAMJOTCXTCMVII-NSHDSACASA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-19-13-6-8-18(9-7-13)15-5-4-12(11(2)17)10-14(15)16/h4-5,10-11,13H,3,6-9,17H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine?
(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine has a molecular weight of 282.81 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78934855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).