(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

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Related Compounds

1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55132087
[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
CID 55132072
(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114237230
N-[[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 81147565
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
CID 78944491
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663
2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol
CID 82691104

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).