1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol

C24H36Cl2N2O — CID 10310315

IUPAC1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol
SMILESOC1(c2cc(Cl)cc(Cl)c2)C(CN2CCCCC2)CCCC1CN1CCCCC1
InChIInChI=1S/C24H36Cl2N2O/c25-22-14-21(15-23(26)16-22)24(29)19(17-27-10-3-1-4-11-27)8-7-9-20(24)18-28-12-5-2-6-13-28/h14-16,19-20,29H,1-13,17-18H2
InChIKeyCRNDDVXTVXRMSS-UHFFFAOYSA-N
MW439.47 g/mol
LogP5.57
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol

1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol (PubChem CID 10310315) has the molecular formula C24H36Cl2N2O and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol
PubChem CID10310315
Molecular FormulaC24H36Cl2N2O
Molecular Weight439.47 g/mol
Exact Mass438.22
IUPAC Name1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol
SMILESOC1(c2cc(Cl)cc(Cl)c2)C(CN2CCCCC2)CCCC1CN1CCCCC1
InChIInChI=1S/C24H36Cl2N2O/c25-22-14-21(15-23(26)16-22)24(29)19(17-27-10-3-1-4-11-27)8-7-9-20(24)18-28-12-5-2-6-13-28/h14-16,19-20,29H,1-13,17-18H2
InChIKeyCRNDDVXTVXRMSS-UHFFFAOYSA-N
XLogP5.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol (CID 10310315) is 1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol is OC1(c2cc(Cl)cc(Cl)c2)C(CN2CCCCC2)CCCC1CN1CCCCC1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol?
The InChIKey is CRNDDVXTVXRMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36Cl2N2O/c25-22-14-21(15-23(26)16-22)24(29)19(17-27-10-3-1-4-11-27)8-7-9-20(24)18-28-12-5-2-6-13-28/h14-16,19-20,29H,1-13,17-18H2.
What are the key properties of 1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol?
1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol has a molecular weight of 439.47 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 10310315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).