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

C17H32N2O — CID 63631366

IUPAC1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCC(CN3CCCC3)CC2)CCCCC1
InChIInChI=1S/C17H32N2O/c20-17(8-2-1-3-9-17)15-19-12-6-16(7-13-19)14-18-10-4-5-11-18/h16,20H,1-15H2
InChIKeyXUSDIFCFKNHYJR-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.49
Rot. Bonds4

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

1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 63631366) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID63631366
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCC(CN3CCCC3)CC2)CCCCC1
InChIInChI=1S/C17H32N2O/c20-17(8-2-1-3-9-17)15-19-12-6-16(7-13-19)14-18-10-4-5-11-18/h16,20H,1-15H2
InChIKeyXUSDIFCFKNHYJR-UHFFFAOYSA-N
XLogP2.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol (CID 63631366) is 1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol is OC1(CN2CCC(CN3CCCC3)CC2)CCCCC1.
What is the InChIKey of 1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is XUSDIFCFKNHYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c20-17(8-2-1-3-9-17)15-19-12-6-16(7-13-19)14-18-10-4-5-11-18/h16,20H,1-15H2.
What are the key properties of 1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 280.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63631366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).