1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol

C15H24N4O — CID 163354464

IUPAC1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESOC1(CN2CCN(c3ccncn3)CC2)CCCCC1
InChIInChI=1S/C15H24N4O/c20-15(5-2-1-3-6-15)12-18-8-10-19(11-9-18)14-4-7-16-13-17-14/h4,7,13,20H,1-3,5-6,8-12H2
InChIKeyWONFOORNRKPEBF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.29
Rot. Bonds3

About 1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol

1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 163354464) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
PubChem CID163354464
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESOC1(CN2CCN(c3ccncn3)CC2)CCCCC1
InChIInChI=1S/C15H24N4O/c20-15(5-2-1-3-6-15)12-18-8-10-19(11-9-18)14-4-7-16-13-17-14/h4,7,13,20H,1-3,5-6,8-12H2
InChIKeyWONFOORNRKPEBF-UHFFFAOYSA-N
XLogP1.29
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol (CID 163354464) is 1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol is OC1(CN2CCN(c3ccncn3)CC2)CCCCC1.
What is the InChIKey of 1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is WONFOORNRKPEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-15(5-2-1-3-6-15)12-18-8-10-19(11-9-18)14-4-7-16-13-17-14/h4,7,13,20H,1-3,5-6,8-12H2.
What are the key properties of 1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol?
1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 163354464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).