1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol

C25H46N2O — CID 10194143

IUPAC1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol
SMILESOC1(CC2CCCCC2)C(CN2CCCCC2)CCCC1CN1CCCCC1
InChIInChI=1S/C25H46N2O/c28-25(19-22-11-4-1-5-12-22)23(20-26-15-6-2-7-16-26)13-10-14-24(25)21-27-17-8-3-9-18-27/h22-24,28H,1-21H2
InChIKeyBSQFBCBBRBBGST-UHFFFAOYSA-N
MW390.66 g/mol
LogP5.08
Rot. Bonds6

About 1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol

1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol (PubChem CID 10194143) has the molecular formula C25H46N2O and a molecular weight of 390.66 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol
PubChem CID10194143
Molecular FormulaC25H46N2O
Molecular Weight390.66 g/mol
Exact Mass390.36
IUPAC Name1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol
SMILESOC1(CC2CCCCC2)C(CN2CCCCC2)CCCC1CN1CCCCC1
InChIInChI=1S/C25H46N2O/c28-25(19-22-11-4-1-5-12-22)23(20-26-15-6-2-7-16-26)13-10-14-24(25)21-27-17-8-3-9-18-27/h22-24,28H,1-21H2
InChIKeyBSQFBCBBRBBGST-UHFFFAOYSA-N
XLogP5.08
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol (CID 10194143) is 1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol is OC1(CC2CCCCC2)C(CN2CCCCC2)CCCC1CN1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol?
The InChIKey is BSQFBCBBRBBGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O/c28-25(19-22-11-4-1-5-12-22)23(20-26-15-6-2-7-16-26)13-10-14-24(25)21-27-17-8-3-9-18-27/h22-24,28H,1-21H2.
What are the key properties of 1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol?
1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol has a molecular weight of 390.66 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 10194143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).