3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine

C15H22ClNO — CID 117116459

IUPAC3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine
SMILESCOc1c(C)c(C)c(C2CCCNC2)c(C)c1Cl
InChIInChI=1S/C15H22ClNO/c1-9-10(2)15(18-4)14(16)11(3)13(9)12-6-5-7-17-8-12/h12,17H,5-8H2,1-4H3
InChIKeyVVCMPTMZPNFNSU-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.74
Rot. Bonds2

About 3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine

3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine (PubChem CID 117116459) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine.

Molecular Properties

Compound Name3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine
PubChem CID117116459
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine
SMILESCOc1c(C)c(C)c(C2CCCNC2)c(C)c1Cl
InChIInChI=1S/C15H22ClNO/c1-9-10(2)15(18-4)14(16)11(3)13(9)12-6-5-7-17-8-12/h12,17H,5-8H2,1-4H3
InChIKeyVVCMPTMZPNFNSU-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine
CID 117456300
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine
CID 117118006
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116557
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine?
The IUPAC name of 3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine (CID 117116459) is 3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine.
What is the SMILES notation for 3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine?
The canonical SMILES for 3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine is COc1c(C)c(C)c(C2CCCNC2)c(C)c1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine?
The InChIKey is VVCMPTMZPNFNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-9-10(2)15(18-4)14(16)11(3)13(9)12-6-5-7-17-8-12/h12,17H,5-8H2,1-4H3.
What are the key properties of 3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine?
3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine has a molecular weight of 267.80 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine is sourced from PubChem (CID 117116459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).