3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine

C16H22F3NO — CID 56704922

IUPAC3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine
SMILESCc1ccccc1OCC1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-13-5-2-3-7-15(13)21-12-14-6-4-9-20(11-14)10-8-16(17,18)19/h2-3,5,7,14H,4,6,8-12H2,1H3
InChIKeyAFVICMCKOOMKEF-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.04
Rot. Bonds5

About 3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine

3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine (PubChem CID 56704922) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine
PubChem CID56704922
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine
SMILESCc1ccccc1OCC1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-13-5-2-3-7-15(13)21-12-14-6-4-9-20(11-14)10-8-16(17,18)19/h2-3,5,7,14H,4,6,8-12H2,1H3
InChIKeyAFVICMCKOOMKEF-UHFFFAOYSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine (CID 56704922) is 3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine is Cc1ccccc1OCC1CCCN(CCC(F)(F)F)C1.
What is the InChIKey of 3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is AFVICMCKOOMKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-13-5-2-3-7-15(13)21-12-14-6-4-9-20(11-14)10-8-16(17,18)19/h2-3,5,7,14H,4,6,8-12H2,1H3.
What are the key properties of 3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine?
3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 301.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenoxy)methyl]-1-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 56704922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).