2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol

C18H19Cl2NO — CID 4518766

IUPAC2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol
SMILESCC1C(O)CC(c2ccc(Cl)cc2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO/c1-11-17(22)10-16(12-2-6-14(19)7-3-12)21-18(11)13-4-8-15(20)9-5-13/h2-9,11,16-18,21-22H,10H2,1H3
InChIKeyBPCLELONGIWKCR-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.77
Rot. Bonds2

About 2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol

2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol (PubChem CID 4518766) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol
PubChem CID4518766
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol
SMILESCC1C(O)CC(c2ccc(Cl)cc2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO/c1-11-17(22)10-16(12-2-6-14(19)7-3-12)21-18(11)13-4-8-15(20)9-5-13/h2-9,11,16-18,21-22H,10H2,1H3
InChIKeyBPCLELONGIWKCR-UHFFFAOYSA-N
XLogP4.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol?
The IUPAC name of 2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol (CID 4518766) is 2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol?
The canonical SMILES for 2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol is CC1C(O)CC(c2ccc(Cl)cc2)NC1c1ccc(Cl)cc1.
What is the InChIKey of 2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol?
The InChIKey is BPCLELONGIWKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-11-17(22)10-16(12-2-6-14(19)7-3-12)21-18(11)13-4-8-15(20)9-5-13/h2-9,11,16-18,21-22H,10H2,1H3.
What are the key properties of 2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol?
2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol has a molecular weight of 336.26 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 4518766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).