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

C14H20ClNO — CID 117387979

IUPAC3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
SMILESCOc1c(C)c(Cl)cc(C2CCCNC2)c1C
InChIInChI=1S/C14H20ClNO/c1-9-12(11-5-4-6-16-8-11)7-13(15)10(2)14(9)17-3/h7,11,16H,4-6,8H2,1-3H3
InChIKeyDWQPHKYLVWRVKC-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.43
Rot. Bonds2

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

3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine (PubChem CID 117387979) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine.

Molecular Properties

Compound Name3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
PubChem CID117387979
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
SMILESCOc1c(C)c(Cl)cc(C2CCCNC2)c1C
InChIInChI=1S/C14H20ClNO/c1-9-12(11-5-4-6-16-8-11)7-13(15)10(2)14(9)17-3/h7,11,16H,4-6,8H2,1-3H3
InChIKeyDWQPHKYLVWRVKC-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine
CID 117479597
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
3-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117387256
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine
CID 117456300
3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116459
3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
CID 117469664
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine?
The IUPAC name of 3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine (CID 117387979) is 3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine.
What is the SMILES notation for 3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine?
The canonical SMILES for 3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine is COc1c(C)c(Cl)cc(C2CCCNC2)c1C.
What is the InChIKey of 3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine?
The InChIKey is DWQPHKYLVWRVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-12(11-5-4-6-16-8-11)7-13(15)10(2)14(9)17-3/h7,11,16H,4-6,8H2,1-3H3.
What are the key properties of 3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine?
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine is sourced from PubChem (CID 117387979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).