2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol

C18H17Cl4NO — CID 173233695

IUPAC2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl4NO/c1-23-7-6-18(24,12-3-5-14(20)16(22)9-12)10-17(23)11-2-4-13(19)15(21)8-11/h2-5,8-9,17,24H,6-7,10H2,1H3
InChIKeyZBHXEKAINGQMRZ-UHFFFAOYSA-N
MW405.15 g/mol
LogP5.95
Rot. Bonds2

About 2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol

2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol (PubChem CID 173233695) has the molecular formula C18H17Cl4NO and a molecular weight of 405.15 g/mol. Its IUPAC name is 2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol
PubChem CID173233695
Molecular FormulaC18H17Cl4NO
Molecular Weight405.15 g/mol
Exact Mass403.01
IUPAC Name2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl4NO/c1-23-7-6-18(24,12-3-5-14(20)16(22)9-12)10-17(23)11-2-4-13(19)15(21)8-11/h2-5,8-9,17,24H,6-7,10H2,1H3
InChIKeyZBHXEKAINGQMRZ-UHFFFAOYSA-N
XLogP5.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.15
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol
CID 106823902
4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol
CID 116505443
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429754
1-(3-chloro-4-methylphenyl)cyclopropan-1-ol
CID 63195490
1-(3,4-dichlorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085693
4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol
CID 105393974
1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol
CID 130555024
4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol
CID 107559480
3-[(8Z)-8-[(3,4-dichlorophenyl)methylidene]-2-methyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 166927353
4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol
CID 59651084
4-[3-chloro-4-(trifluoromethoxy)phenyl]-1-methylpiperidin-4-ol
CID 177308842
1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol
CID 143626038

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol?
The IUPAC name of 2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol (CID 173233695) is 2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol is CN1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol?
The InChIKey is ZBHXEKAINGQMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl4NO/c1-23-7-6-18(24,12-3-5-14(20)16(22)9-12)10-17(23)11-2-4-13(19)15(21)8-11/h2-5,8-9,17,24H,6-7,10H2,1H3.
What are the key properties of 2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol?
2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol has a molecular weight of 405.15 g/mol, XLogP of 5.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 173233695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).