4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine

C15H22ClNO2 — CID 117456299

IUPAC4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine
SMILESCCc1c(C2CCNCC2)cc(OC)c(OC)c1Cl
InChIInChI=1S/C15H22ClNO2/c1-4-11-12(10-5-7-17-8-6-10)9-13(18-2)15(19-3)14(11)16/h9-10,17H,4-8H2,1-3H3
InChIKeyVASXNKYTZJVUDB-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.39
Rot. Bonds4

About 4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine

4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine (PubChem CID 117456299) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine
PubChem CID117456299
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine
SMILESCCc1c(C2CCNCC2)cc(OC)c(OC)c1Cl
InChIInChI=1S/C15H22ClNO2/c1-4-11-12(10-5-7-17-8-6-10)9-13(18-2)15(19-3)14(11)16/h9-10,17H,4-8H2,1-3H3
InChIKeyVASXNKYTZJVUDB-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328
4-(5-chloro-3-ethyl-2-methoxyphenyl)piperidine
CID 117387972
4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)piperidine
CID 117448930
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine
CID 117480594
4-(4-chloro-2,3-dimethoxyphenyl)piperidine
CID 117392507
4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
CID 117499633
3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine
CID 117482743
3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine
CID 117387978
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
5-(3-ethyl-6-methyl-5-piperidin-4-yl-1H-indol-2-yl)-2-methoxybenzaldehyde
CID 166851176

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine?
The IUPAC name of 4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine (CID 117456299) is 4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine.
What is the SMILES notation for 4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine?
The canonical SMILES for 4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine is CCc1c(C2CCNCC2)cc(OC)c(OC)c1Cl.
What is the InChIKey of 4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine?
The InChIKey is VASXNKYTZJVUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-11-12(10-5-7-17-8-6-10)9-13(18-2)15(19-3)14(11)16/h9-10,17H,4-8H2,1-3H3.
What are the key properties of 4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine?
4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine has a molecular weight of 283.80 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)piperidine is sourced from PubChem (CID 117456299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).