(3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol

C14H19Cl2NO — CID 70515421

IUPAC(3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol
SMILESCC1(C)CCCC(C(O)c2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C14H19Cl2NO/c1-14(2)7-3-4-12(17-14)13(18)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17-18H,3-4,7H2,1-2H3
InChIKeyMCZOYWTZELRBJA-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.95
Rot. Bonds2

About (3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol

(3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol (PubChem CID 70515421) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol
PubChem CID70515421
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name(3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol
SMILESCC1(C)CCCC(C(O)c2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C14H19Cl2NO/c1-14(2)7-3-4-12(17-14)13(18)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17-18H,3-4,7H2,1-2H3
InChIKeyMCZOYWTZELRBJA-UHFFFAOYSA-N
XLogP3.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol (CID 70515421) is (3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol is CC1(C)CCCC(C(O)c2ccc(Cl)c(Cl)c2)N1.
What is the InChIKey of (3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol?
The InChIKey is MCZOYWTZELRBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-14(2)7-3-4-12(17-14)13(18)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17-18H,3-4,7H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol?
(3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol has a molecular weight of 288.22 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol is sourced from PubChem (CID 70515421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).