(1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol

C23H25ClN2O — CID 122691825

IUPAC(1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol
SMILESCc1cc(Cl)cc2c(-c3ccccc3)c([C@@H](C)O)c(N3CCCCC3)nc12
InChIInChI=1S/C23H25ClN2O/c1-15-13-18(24)14-19-21(17-9-5-3-6-10-17)20(16(2)27)23(25-22(15)19)26-11-7-4-8-12-26/h3,5-6,9-10,13-14,16,27H,4,7-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeyYQCUMZCEHKDTLR-MRXNPFEDSA-N
MW380.92 g/mol
LogP5.91
Rot. Bonds3

About (1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol

(1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol (PubChem CID 122691825) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is (1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol
PubChem CID122691825
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name(1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol
SMILESCc1cc(Cl)cc2c(-c3ccccc3)c([C@@H](C)O)c(N3CCCCC3)nc12
InChIInChI=1S/C23H25ClN2O/c1-15-13-18(24)14-19-21(17-9-5-3-6-10-17)20(16(2)27)23(25-22(15)19)26-11-7-4-8-12-26/h3,5-6,9-10,13-14,16,27H,4,7-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeyYQCUMZCEHKDTLR-MRXNPFEDSA-N
XLogP5.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol with MolForge

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Related Compounds

[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3-yl]-methanol
CID 44286632
6-Chloro-8-methyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
CID 71556493
[4-Hydroxymethyl-2-(4-methyl-piperazin-1-yl)-quinolin-3-yl]-methanol
CID 11243170
2-[6-Chloro-4-(2-chlorophenyl)-2-piperazin-1-yl-3-quinolyl]ethanol
CID 53320963
(2-((4-Chlorophenyl)amino)-6-methylquinolin-4-yl)(piperidin-2-yl)methanol
CID 291978
(2-(Piperidin-1-yl)quinolin-3-yl)methanol
CID 930094
[2-(4-Chloroanilino)-6,8-dimethylquinolin-4-yl]-piperidin-2-ylmethanol
CID 44361283
2-[6-Chloro-4-(2-chlorophenyl)-2-morpholino-3-quinolyl]ethanol
CID 53318752
2-[6-Chloro-4-(2-chlorophenyl)-2-(1-piperidyl)-3-quinolyl]ethanol
CID 53320962
1-[2-(4-Chloroanilino)-6-methylquinolin-4-yl]-2-piperidin-2-ylethanol
CID 90669144
1-(6-Chloro-2-phenylquinolin-4-yl)-2-(1-methylpiperidin-2-yl)ethanol
CID 90669164
1-[2-(4-Chloroanilino)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol
CID 90669174

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol?
The IUPAC name of (1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol (CID 122691825) is (1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol.
What is the SMILES notation for (1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol?
The canonical SMILES for (1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol is Cc1cc(Cl)cc2c(-c3ccccc3)c([C@@H](C)O)c(N3CCCCC3)nc12.
What is the InChIKey of (1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol?
The InChIKey is YQCUMZCEHKDTLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25ClN2O/c1-15-13-18(24)14-19-21(17-9-5-3-6-10-17)20(16(2)27)23(25-22(15)19)26-11-7-4-8-12-26/h3,5-6,9-10,13-14,16,27H,4,7-8,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol?
(1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol has a molecular weight of 380.92 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanol is sourced from PubChem (CID 122691825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).