2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol

C21H29N3O — CID 28955815

IUPAC2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(Cc2cccc3ncccc23)CCN1C1CCCC1
InChIInChI=1S/C21H29N3O/c25-14-10-19-16-23(12-13-24(19)18-6-1-2-7-18)15-17-5-3-9-21-20(17)8-4-11-22-21/h3-5,8-9,11,18-19,25H,1-2,6-7,10,12-16H2/t19-/m0/s1
InChIKeyUMTPARRIQBJHLI-IBGZPJMESA-N
MW339.48 g/mol
LogP3.05
Rot. Bonds5

About 2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol

2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 28955815) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol
PubChem CID28955815
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(Cc2cccc3ncccc23)CCN1C1CCCC1
InChIInChI=1S/C21H29N3O/c25-14-10-19-16-23(12-13-24(19)18-6-1-2-7-18)15-17-5-3-9-21-20(17)8-4-11-22-21/h3-5,8-9,11,18-19,25H,1-2,6-7,10,12-16H2/t19-/m0/s1
InChIKeyUMTPARRIQBJHLI-IBGZPJMESA-N
XLogP3.05
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 29215594
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CID 45180147
2-[(2R)-1-cyclopentyl-4-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51902901
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CID 30727850
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CID 51907434
2-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol
CID 45241251
2-[1-cyclopentyl-4-[[2-(difluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 45240114
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
2-[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
CID 45237963
2-[[(3R)-3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]phenol
CID 98575671
2-[[(3S)-3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]phenol
CID 29219833
4-chloro-2-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45204573

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol (CID 28955815) is 2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol is OCC[C@H]1CN(Cc2cccc3ncccc23)CCN1C1CCCC1.
What is the InChIKey of 2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is UMTPARRIQBJHLI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O/c25-14-10-19-16-23(12-13-24(19)18-6-1-2-7-18)15-17-5-3-9-21-20(17)8-4-11-22-21/h3-5,8-9,11,18-19,25H,1-2,6-7,10,12-16H2/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol?
2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 339.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 28955815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).