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

C22H30N2O — CID 29215594

IUPAC2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(Cc2cccc3ccccc23)CCN1C1CCCC1
InChIInChI=1S/C22H30N2O/c25-15-12-21-17-23(13-14-24(21)20-9-2-3-10-20)16-19-8-5-7-18-6-1-4-11-22(18)19/h1,4-8,11,20-21,25H,2-3,9-10,12-17H2/t21-/m0/s1
InChIKeyBQSBDVCJPUOWTR-NRFANRHFSA-N
MW338.49 g/mol
LogP3.65
Rot. Bonds5

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

2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 29215594) has the molecular formula C22H30N2O and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
PubChem CID29215594
Molecular FormulaC22H30N2O
Molecular Weight338.49 g/mol
Exact Mass338.24
IUPAC Name2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(Cc2cccc3ccccc23)CCN1C1CCCC1
InChIInChI=1S/C22H30N2O/c25-15-12-21-17-23(13-14-24(21)20-9-2-3-10-20)16-19-8-5-7-18-6-1-4-11-22(18)19/h1,4-8,11,20-21,25H,2-3,9-10,12-17H2/t21-/m0/s1
InChIKeyBQSBDVCJPUOWTR-NRFANRHFSA-N
XLogP3.65
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[1-cyclopentyl-4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 45180147
2-[(2S)-1-cyclopentyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
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2-[1-cyclopentyl-4-[[2-(difluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 45240114
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2-[[(3S)-3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]phenol
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CID 45241251
2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol
CID 51907434
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
2-[1-cyclopentyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol (CID 29215594) is 2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol is OCC[C@H]1CN(Cc2cccc3ccccc23)CCN1C1CCCC1.
What is the InChIKey of 2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is BQSBDVCJPUOWTR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N2O/c25-15-12-21-17-23(13-14-24(21)20-9-2-3-10-20)16-19-8-5-7-18-6-1-4-11-22(18)19/h1,4-8,11,20-21,25H,2-3,9-10,12-17H2/t21-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol?
2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 338.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 29215594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).