1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C25H32N2O3 — CID 46965244

IUPAC1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(C(O)CN3CCC(OCc4ccccc4)CC3)ccc21
InChIInChI=1S/C25H32N2O3/c1-19(28)27-13-5-8-21-16-22(9-10-24(21)27)25(29)17-26-14-11-23(12-15-26)30-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,23,25,29H,5,8,11-15,17-18H2,1H3
InChIKeyDXKIBLRJRKEHCN-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.70
Rot. Bonds6

About 1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 46965244) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID46965244
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(C(O)CN3CCC(OCc4ccccc4)CC3)ccc21
InChIInChI=1S/C25H32N2O3/c1-19(28)27-13-5-8-21-16-22(9-10-24(21)27)25(29)17-26-14-11-23(12-15-26)30-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,23,25,29H,5,8,11-15,17-18H2,1H3
InChIKeyDXKIBLRJRKEHCN-UHFFFAOYSA-N
XLogP3.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

1-[6-[(1R)-2-(4-tert-butylpiperidin-1-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 51501002
1-[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 46965248
1-[6-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 16672044
1-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 16677020
4-[(2S)-2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-hydroxyethyl]-1-cyclohexylpiperazin-2-one
CID 51500996
1-[6-[(1S)-1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 92549420
[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 46965260
[6-[(1S)-2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 124786858
cyclopropyl-[6-[(1S)-1-hydroxy-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 51501112
1-[6-[(1S)-1-hydroxy-2-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 51501018
1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 46965271
1-[6-[(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51872122

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 46965244) is 1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCc2cc(C(O)CN3CCC(OCc4ccccc4)CC3)ccc21.
What is the InChIKey of 1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is DXKIBLRJRKEHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19(28)27-13-5-8-21-16-22(9-10-24(21)27)25(29)17-26-14-11-23(12-15-26)30-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,23,25,29H,5,8,11-15,17-18H2,1H3.
What are the key properties of 1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 408.54 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 46965244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).