4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol

C14H19Cl2NO — CID 156723163

IUPAC4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol
SMILESCC1(C)CC(Cc2cc(Cl)c(Cl)cc2O)CCN1
InChIInChI=1S/C14H19Cl2NO/c1-14(2)8-9(3-4-17-14)5-10-6-11(15)12(16)7-13(10)18/h6-7,9,17-18H,3-5,8H2,1-2H3
InChIKeyIKBFFTBCTQUKEA-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.02
Rot. Bonds2

About 4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol

4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol (PubChem CID 156723163) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol.

Molecular Properties

Compound Name4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol
PubChem CID156723163
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol
SMILESCC1(C)CC(Cc2cc(Cl)c(Cl)cc2O)CCN1
InChIInChI=1S/C14H19Cl2NO/c1-14(2)8-9(3-4-17-14)5-10-6-11(15)12(16)7-13(10)18/h6-7,9,17-18H,3-5,8H2,1-2H3
InChIKeyIKBFFTBCTQUKEA-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol?
The IUPAC name of 4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol (CID 156723163) is 4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol.
What is the SMILES notation for 4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol?
The canonical SMILES for 4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol is CC1(C)CC(Cc2cc(Cl)c(Cl)cc2O)CCN1.
What is the InChIKey of 4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol?
The InChIKey is IKBFFTBCTQUKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-14(2)8-9(3-4-17-14)5-10-6-11(15)12(16)7-13(10)18/h6-7,9,17-18H,3-5,8H2,1-2H3.
What are the key properties of 4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol?
4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol has a molecular weight of 288.22 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(2,2-dimethylpiperidin-4-yl)methyl]phenol is sourced from PubChem (CID 156723163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).