[4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol

C13H17Cl2NO — CID 10401105

IUPAC[4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol
SMILESCN1CCC(c2ccc(Cl)c(Cl)c2)C(CO)C1
InChIInChI=1S/C13H17Cl2NO/c1-16-5-4-11(10(7-16)8-17)9-2-3-12(14)13(15)6-9/h2-3,6,10-11,17H,4-5,7-8H2,1H3
InChIKeyNMQQDLQLQBFQGS-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.02
Rot. Bonds2

About [4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol

[4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol (PubChem CID 10401105) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol
PubChem CID10401105
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name[4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol
SMILESCN1CCC(c2ccc(Cl)c(Cl)c2)C(CO)C1
InChIInChI=1S/C13H17Cl2NO/c1-16-5-4-11(10(7-16)8-17)9-2-3-12(14)13(15)6-9/h2-3,6,10-11,17H,4-5,7-8H2,1H3
InChIKeyNMQQDLQLQBFQGS-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol?
The IUPAC name of [4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol (CID 10401105) is [4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol?
The canonical SMILES for [4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol is CN1CCC(c2ccc(Cl)c(Cl)c2)C(CO)C1.
What is the InChIKey of [4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol?
The InChIKey is NMQQDLQLQBFQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-16-5-4-11(10(7-16)8-17)9-2-3-12(14)13(15)6-9/h2-3,6,10-11,17H,4-5,7-8H2,1H3.
What are the key properties of [4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol?
[4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol has a molecular weight of 274.19 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 10401105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).