1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol

C17H27N3O — CID 95826923

IUPAC1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCC(Cc3ncccn3)CC2)CCCCC1
InChIInChI=1S/C17H27N3O/c21-17(7-2-1-3-8-17)14-20-11-5-15(6-12-20)13-16-18-9-4-10-19-16/h4,9-10,15,21H,1-3,5-8,11-14H2
InChIKeyTXTWCNZACMUFTM-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.43
Rot. Bonds4

About 1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol

1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 95826923) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID95826923
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCC(Cc3ncccn3)CC2)CCCCC1
InChIInChI=1S/C17H27N3O/c21-17(7-2-1-3-8-17)14-20-11-5-15(6-12-20)13-16-18-9-4-10-19-16/h4,9-10,15,21H,1-3,5-8,11-14H2
InChIKeyTXTWCNZACMUFTM-UHFFFAOYSA-N
XLogP2.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol (CID 95826923) is 1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol is OC1(CN2CCC(Cc3ncccn3)CC2)CCCCC1.
What is the InChIKey of 1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is TXTWCNZACMUFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c21-17(7-2-1-3-8-17)14-20-11-5-15(6-12-20)13-16-18-9-4-10-19-16/h4,9-10,15,21H,1-3,5-8,11-14H2.
What are the key properties of 1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 95826923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).