1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol

C16H26N4O — CID 104752458

IUPAC1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(c2ncccn2)CC1)C1CCCCC1
InChIInChI=1S/C16H26N4O/c21-15(14-5-2-1-3-6-14)13-19-9-11-20(12-10-19)16-17-7-4-8-18-16/h4,7-8,14-15,21H,1-3,5-6,9-13H2
InChIKeyUXOBOTAFTIFYIY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.54
Rot. Bonds4

About 1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol

1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol (PubChem CID 104752458) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
PubChem CID104752458
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(c2ncccn2)CC1)C1CCCCC1
InChIInChI=1S/C16H26N4O/c21-15(14-5-2-1-3-6-14)13-19-9-11-20(12-10-19)16-17-7-4-8-18-16/h4,7-8,14-15,21H,1-3,5-6,9-13H2
InChIKeyUXOBOTAFTIFYIY-UHFFFAOYSA-N
XLogP1.54
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol
CID 154754238
(2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
CID 12052820
1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 104744506
1-[4-[1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one
CID 155509292
1-bromo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 112561188
1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 104752803
1-cyclohexyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanol
CID 104752839
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
1-cyclobutyl-2-pyrrolidin-1-ylethanol
CID 117245548
1-cyclopentyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanol
CID 113449144

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol (CID 104752458) is 1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol is OC(CN1CCN(c2ncccn2)CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
The InChIKey is UXOBOTAFTIFYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c21-15(14-5-2-1-3-6-14)13-19-9-11-20(12-10-19)16-17-7-4-8-18-16/h4,7-8,14-15,21H,1-3,5-6,9-13H2.
What are the key properties of 1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol has a molecular weight of 290.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 104752458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).