2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol

C15H28N2O — CID 28849794

IUPAC2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(C2CCC2)CCN1C1CCCC1
InChIInChI=1S/C15H28N2O/c18-11-8-15-12-16(13-6-3-7-13)9-10-17(15)14-4-1-2-5-14/h13-15,18H,1-12H2/t15-/m0/s1
InChIKeyLSSNGKNXBRBBHC-HNNXBMFYSA-N
MW252.40 g/mol
LogP1.85
Rot. Bonds4

About 2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol

2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol (PubChem CID 28849794) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol
PubChem CID28849794
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(C2CCC2)CCN1C1CCCC1
InChIInChI=1S/C15H28N2O/c18-11-8-15-12-16(13-6-3-7-13)9-10-17(15)14-4-1-2-5-14/h13-15,18H,1-12H2/t15-/m0/s1
InChIKeyLSSNGKNXBRBBHC-HNNXBMFYSA-N
XLogP1.85
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
CID 75576493
2-[(2R)-1-cyclopentyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
CID 51633511
2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
CID 28733174
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698
2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45233166
2-[(2R)-4-(1,4-dithiepan-6-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 98617749
2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45186559
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl)ethanol
CID 19426624
2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
CID 28734796
2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
CID 45183462
2-[(2S)-1-cyclohexyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 28733456
2-[1-cyclopentyl-4-[(2,3,6-trifluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45212647

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol (CID 28849794) is 2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol is OCC[C@H]1CN(C2CCC2)CCN1C1CCCC1.
What is the InChIKey of 2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol?
The InChIKey is LSSNGKNXBRBBHC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28N2O/c18-11-8-15-12-16(13-6-3-7-13)9-10-17(15)14-4-1-2-5-14/h13-15,18H,1-12H2/t15-/m0/s1.
What are the key properties of 2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol?
2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol has a molecular weight of 252.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol is sourced from PubChem (CID 28849794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).