2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol

C20H30N2O — CID 45229056

IUPAC2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(C/C=C/c2ccccc2)CCN1C1CCCC1
InChIInChI=1S/C20H30N2O/c23-16-12-20-17-21(13-6-9-18-7-2-1-3-8-18)14-15-22(20)19-10-4-5-11-19/h1-3,6-9,19-20,23H,4-5,10-17H2/b9-6+
InChIKeyQUOSOKINFHFVDH-RMKNXTFCSA-N
MW314.47 g/mol
LogP3.01
Rot. Bonds6

About 2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol

2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol (PubChem CID 45229056) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
PubChem CID45229056
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(C/C=C/c2ccccc2)CCN1C1CCCC1
InChIInChI=1S/C20H30N2O/c23-16-12-20-17-21(13-6-9-18-7-2-1-3-8-18)14-15-22(20)19-10-4-5-11-19/h1-3,6-9,19-20,23H,4-5,10-17H2/b9-6+
InChIKeyQUOSOKINFHFVDH-RMKNXTFCSA-N
XLogP3.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 29086670
2-[(2S)-1-(2-methylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 29029378
2-[(2R)-1-cyclopentyl-4-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51902901
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-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
CID 29215594
2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 51634282
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
2-[1-cyclopentyl-4-[[2-(difluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 45240114
2-[(2R)-1-cyclopentyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
CID 51633511
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol (CID 45229056) is 2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol is OCCC1CN(C/C=C/c2ccccc2)CCN1C1CCCC1.
What is the InChIKey of 2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol?
The InChIKey is QUOSOKINFHFVDH-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H30N2O/c23-16-12-20-17-21(13-6-9-18-7-2-1-3-8-18)14-15-22(20)19-10-4-5-11-19/h1-3,6-9,19-20,23H,4-5,10-17H2/b9-6+.
What are the key properties of 2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol?
2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol has a molecular weight of 314.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45229056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).