1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol

C23H42N2O — CID 91233137

IUPAC1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol
SMILESOC1(C2CCCCC2)CCCCC1C(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C23H42N2O/c26-23(20-12-4-1-5-13-20)15-7-6-14-21(23)22(24-16-8-2-9-17-24)25-18-10-3-11-19-25/h20-22,26H,1-19H2
InChIKeyVASKYHCGOURDLH-UHFFFAOYSA-N
MW362.60 g/mol
LogP4.79
Rot. Bonds4

About 1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol

1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 91233137) has the molecular formula C23H42N2O and a molecular weight of 362.60 g/mol. Its IUPAC name is 1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID91233137
Molecular FormulaC23H42N2O
Molecular Weight362.60 g/mol
Exact Mass362.33
IUPAC Name1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol
SMILESOC1(C2CCCCC2)CCCCC1C(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C23H42N2O/c26-23(20-12-4-1-5-13-20)15-7-6-14-21(23)22(24-16-8-2-9-17-24)25-18-10-3-11-19-25/h20-22,26H,1-19H2
InChIKeyVASKYHCGOURDLH-UHFFFAOYSA-N
XLogP4.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.60
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol (CID 91233137) is 1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol is OC1(C2CCCCC2)CCCCC1C(N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is VASKYHCGOURDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O/c26-23(20-12-4-1-5-13-20)15-7-6-14-21(23)22(24-16-8-2-9-17-24)25-18-10-3-11-19-25/h20-22,26H,1-19H2.
What are the key properties of 1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol?
1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 362.60 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[di(piperidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 91233137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).