4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol

C13H17Cl2NO — CID 114501801

IUPAC4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-9-8-16-6-5-13(9,17)7-10-11(14)3-2-4-12(10)15/h2-4,9,16-17H,5-8H2,1H3
InChIKeyKMVAFVORBPFYLF-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.90
Rot. Bonds2

About 4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol

4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114501801) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol
PubChem CID114501801
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-9-8-16-6-5-13(9,17)7-10-11(14)3-2-4-12(10)15/h2-4,9,16-17H,5-8H2,1H3
InChIKeyKMVAFVORBPFYLF-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol
CID 114501868
1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65153745
4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 105402809
4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol
CID 114501970
3-[(2,6-dichlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140571
1-[(2,6-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65153658
3-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 114502004
1-[(2,6-dichlorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65149113
4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575
3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol
CID 114501819
4-(4-chlorophenyl)-3-methylpiperidin-4-ol
CID 23137070
4-[(2,6-dichlorophenyl)methyl]-4-fluoroazepane
CID 103984000

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol (CID 114501801) is 4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol is CC1CNCCC1(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is KMVAFVORBPFYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9-8-16-6-5-13(9,17)7-10-11(14)3-2-4-12(10)15/h2-4,9,16-17H,5-8H2,1H3.
What are the key properties of 4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol?
4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 274.19 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114501801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).