2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol

C22H32N4O — CID 51635497

IUPAC2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CCN1C1CCCCC1
InChIInChI=1S/C22H32N4O/c27-16-11-22-18-24(14-15-25(22)20-5-2-1-3-6-20)17-19-7-9-21(10-8-19)26-13-4-12-23-26/h4,7-10,12-13,20,22,27H,1-3,5-6,11,14-18H2/t22-/m1/s1
InChIKeyMBGBGOKXEXYXRY-JOCHJYFZSA-N
MW368.52 g/mol
LogP3.07
Rot. Bonds6

About 2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 51635497) has the molecular formula C22H32N4O and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID51635497
Molecular FormulaC22H32N4O
Molecular Weight368.52 g/mol
Exact Mass368.26
IUPAC Name2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CCN1C1CCCCC1
InChIInChI=1S/C22H32N4O/c27-16-11-22-18-24(14-15-25(22)20-5-2-1-3-6-20)17-19-7-9-21(10-8-19)26-13-4-12-23-26/h4,7-10,12-13,20,22,27H,1-3,5-6,11,14-18H2/t22-/m1/s1
InChIKeyMBGBGOKXEXYXRY-JOCHJYFZSA-N
XLogP3.07
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 92764868
2-[(2S)-1-cyclohexyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 28733456
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 51634550
2-[1-cyclohexyl-4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 45233355
5-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45171109
2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45224960
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28925095
2-[(2R)-1-cyclopentyl-4-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51902901
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
CID 62660628
2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol
CID 28955815

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol (CID 51635497) is 2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol is OCC[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CCN1C1CCCCC1.
What is the InChIKey of 2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is MBGBGOKXEXYXRY-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H32N4O/c27-16-11-22-18-24(14-15-25(22)20-5-2-1-3-6-20)17-19-7-9-21(10-8-19)26-13-4-12-23-26/h4,7-10,12-13,20,22,27H,1-3,5-6,11,14-18H2/t22-/m1/s1.
What are the key properties of 2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 368.52 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 51635497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).