2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol

C24H29N3O — CID 95882518

IUPAC2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(c2ccnc3ccccc23)CCN1CCCc1ccccc1
InChIInChI=1S/C24H29N3O/c28-18-13-21-19-27(24-12-14-25-23-11-5-4-10-22(23)24)17-16-26(21)15-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-12,14,21,28H,6,9,13,15-19H2/t21-/m0/s1
InChIKeyLZGAKGXFEONAAJ-NRFANRHFSA-N
MW375.52 g/mol
LogP3.74
Rot. Bonds7

About 2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol

2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol (PubChem CID 95882518) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol
PubChem CID95882518
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(c2ccnc3ccccc23)CCN1CCCc1ccccc1
InChIInChI=1S/C24H29N3O/c28-18-13-21-19-27(24-12-14-25-23-11-5-4-10-22(23)24)17-16-26(21)15-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-12,14,21,28H,6,9,13,15-19H2/t21-/m0/s1
InChIKeyLZGAKGXFEONAAJ-NRFANRHFSA-N
XLogP3.74
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol (CID 95882518) is 2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol is OCC[C@H]1CN(c2ccnc3ccccc23)CCN1CCCc1ccccc1.
What is the InChIKey of 2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol?
The InChIKey is LZGAKGXFEONAAJ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29N3O/c28-18-13-21-19-27(24-12-14-25-23-11-5-4-10-22(23)24)17-16-26(21)15-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-12,14,21,28H,6,9,13,15-19H2/t21-/m0/s1.
What are the key properties of 2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol?
2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol has a molecular weight of 375.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(3-phenylpropyl)-4-quinolin-4-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 95882518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).