2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol

C23H34N4O — CID 98771280

IUPAC2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1cc(C)c2nccc(N3CCN(C4CCN(C)CC4)[C@@H](CCO)C3)c2c1
InChIInChI=1S/C23H34N4O/c1-17-14-18(2)23-21(15-17)22(4-8-24-23)26-11-12-27(20(16-26)7-13-28)19-5-9-25(3)10-6-19/h4,8,14-15,19-20,28H,5-7,9-13,16H2,1-3H3/t20-/m0/s1
InChIKeyMAHUNNGYNADBDL-FQEVSTJZSA-N
MW382.55 g/mol
LogP2.82
Rot. Bonds4

About 2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 98771280) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID98771280
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1cc(C)c2nccc(N3CCN(C4CCN(C)CC4)[C@@H](CCO)C3)c2c1
InChIInChI=1S/C23H34N4O/c1-17-14-18(2)23-21(15-17)22(4-8-24-23)26-11-12-27(20(16-26)7-13-28)19-5-9-25(3)10-6-19/h4,8,14-15,19-20,28H,5-7,9-13,16H2,1-3H3/t20-/m0/s1
InChIKeyMAHUNNGYNADBDL-FQEVSTJZSA-N
XLogP2.82
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 98771280) is 2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol is Cc1cc(C)c2nccc(N3CCN(C4CCN(C)CC4)[C@@H](CCO)C3)c2c1.
What is the InChIKey of 2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is MAHUNNGYNADBDL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H34N4O/c1-17-14-18(2)23-21(15-17)22(4-8-24-23)26-11-12-27(20(16-26)7-13-28)19-5-9-25(3)10-6-19/h4,8,14-15,19-20,28H,5-7,9-13,16H2,1-3H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 382.55 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(6,8-dimethylquinolin-4-yl)-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98771280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).