2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine

C15H22ClNO — CID 117423350

IUPAC2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
SMILESCOc1c(CC2CCCCN2)cc(C)c(C)c1Cl
InChIInChI=1S/C15H22ClNO/c1-10-8-12(9-13-6-4-5-7-17-13)15(18-3)14(16)11(10)2/h8,13,17H,4-7,9H2,1-3H3
InChIKeyUFHOITUETWZERN-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.65
Rot. Bonds3

About 2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine

2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine (PubChem CID 117423350) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
PubChem CID117423350
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
SMILESCOc1c(CC2CCCCN2)cc(C)c(C)c1Cl
InChIInChI=1S/C15H22ClNO/c1-10-8-12(9-13-6-4-5-7-17-13)15(18-3)14(16)11(10)2/h8,13,17H,4-7,9H2,1-3H3
InChIKeyUFHOITUETWZERN-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
CID 117377158
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-methoxy-3,4-dimethyl-5-(piperidin-2-ylmethyl)phenol
CID 117377144
2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
CID 117387647
2-[(5-bromo-2,3-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117499665
2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 84799672
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387667
2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine
CID 117479519

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine?
The IUPAC name of 2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine (CID 117423350) is 2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine is COc1c(CC2CCCCN2)cc(C)c(C)c1Cl.
What is the InChIKey of 2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine?
The InChIKey is UFHOITUETWZERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10-8-12(9-13-6-4-5-7-17-13)15(18-3)14(16)11(10)2/h8,13,17H,4-7,9H2,1-3H3.
What are the key properties of 2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine?
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine has a molecular weight of 267.80 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 117423350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).