3-(3-chloro-2-methylphenyl)-3-methoxypiperidine

C13H18ClNO — CID 83824775

IUPAC3-(3-chloro-2-methylphenyl)-3-methoxypiperidine
SMILESCOC1(c2cccc(Cl)c2C)CCCNC1
InChIInChI=1S/C13H18ClNO/c1-10-11(5-3-6-12(10)14)13(16-2)7-4-8-15-9-13/h3,5-6,15H,4,7-9H2,1-2H3
InChIKeyONBMRDOEELPICT-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.87
Rot. Bonds2

About 3-(3-chloro-2-methylphenyl)-3-methoxypiperidine

3-(3-chloro-2-methylphenyl)-3-methoxypiperidine (PubChem CID 83824775) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-3-methoxypiperidine.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-3-methoxypiperidine
PubChem CID83824775
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-(3-chloro-2-methylphenyl)-3-methoxypiperidine
SMILESCOC1(c2cccc(Cl)c2C)CCCNC1
InChIInChI=1S/C13H18ClNO/c1-10-11(5-3-6-12(10)14)13(16-2)7-4-8-15-9-13/h3,5-6,15H,4,7-9H2,1-2H3
InChIKeyONBMRDOEELPICT-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-3-methoxypiperidine?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-3-methoxypiperidine (CID 83824775) is 3-(3-chloro-2-methylphenyl)-3-methoxypiperidine.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-3-methoxypiperidine?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-3-methoxypiperidine is COC1(c2cccc(Cl)c2C)CCCNC1.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-3-methoxypiperidine?
The InChIKey is ONBMRDOEELPICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-11(5-3-6-12(10)14)13(16-2)7-4-8-15-9-13/h3,5-6,15H,4,7-9H2,1-2H3.
What are the key properties of 3-(3-chloro-2-methylphenyl)-3-methoxypiperidine?
3-(3-chloro-2-methylphenyl)-3-methoxypiperidine has a molecular weight of 239.75 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-3-methoxypiperidine is sourced from PubChem (CID 83824775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).