3-[(2-chlorophenyl)methoxy]-3-methylpiperidine

C13H18ClNO — CID 107385905

IUPAC3-[(2-chlorophenyl)methoxy]-3-methylpiperidine
SMILESCC1(OCc2ccccc2Cl)CCCNC1
InChIInChI=1S/C13H18ClNO/c1-13(7-4-8-15-10-13)16-9-11-5-2-3-6-12(11)14/h2-3,5-6,15H,4,7-10H2,1H3
InChIKeyWSXRKPMYYWXMCR-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.00
Rot. Bonds3

About 3-[(2-chlorophenyl)methoxy]-3-methylpiperidine

3-[(2-chlorophenyl)methoxy]-3-methylpiperidine (PubChem CID 107385905) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-3-methylpiperidine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-3-methylpiperidine
PubChem CID107385905
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-[(2-chlorophenyl)methoxy]-3-methylpiperidine
SMILESCC1(OCc2ccccc2Cl)CCCNC1
InChIInChI=1S/C13H18ClNO/c1-13(7-4-8-15-10-13)16-9-11-5-2-3-6-12(11)14/h2-3,5-6,15H,4,7-10H2,1H3
InChIKeyWSXRKPMYYWXMCR-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-3-methylpiperidine?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-3-methylpiperidine (CID 107385905) is 3-[(2-chlorophenyl)methoxy]-3-methylpiperidine.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-3-methylpiperidine?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-3-methylpiperidine is CC1(OCc2ccccc2Cl)CCCNC1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-3-methylpiperidine?
The InChIKey is WSXRKPMYYWXMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-13(7-4-8-15-10-13)16-9-11-5-2-3-6-12(11)14/h2-3,5-6,15H,4,7-10H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-3-methylpiperidine?
3-[(2-chlorophenyl)methoxy]-3-methylpiperidine has a molecular weight of 239.75 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-3-methylpiperidine is sourced from PubChem (CID 107385905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).