3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine

C14H20ClNO — CID 117387978

IUPAC3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine
SMILESCCc1c(OC)cc(Cl)cc1C1CCCNC1
InChIInChI=1S/C14H20ClNO/c1-3-12-13(10-5-4-6-16-9-10)7-11(15)8-14(12)17-2/h7-8,10,16H,3-6,9H2,1-2H3
InChIKeyVPSJMTLRFRQXDI-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.38
Rot. Bonds3

About 3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine

3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine (PubChem CID 117387978) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine.

Molecular Properties

Compound Name3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine
PubChem CID117387978
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine
SMILESCCc1c(OC)cc(Cl)cc1C1CCCNC1
InChIInChI=1S/C14H20ClNO/c1-3-12-13(10-5-4-6-16-9-10)7-11(15)8-14(12)17-2/h7-8,10,16H,3-6,9H2,1-2H3
InChIKeyVPSJMTLRFRQXDI-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine
CID 117347386
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine
CID 84701649
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117423076

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine?
The IUPAC name of 3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine (CID 117387978) is 3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine.
What is the SMILES notation for 3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine?
The canonical SMILES for 3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine is CCc1c(OC)cc(Cl)cc1C1CCCNC1.
What is the InChIKey of 3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine?
The InChIKey is VPSJMTLRFRQXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-12-13(10-5-4-6-16-9-10)7-11(15)8-14(12)17-2/h7-8,10,16H,3-6,9H2,1-2H3.
What are the key properties of 3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine?
3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine is sourced from PubChem (CID 117387978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).