1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine

C14H15F6NO — CID 123228862

IUPAC1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)C1(C(F)(F)F)CCCN(OCc2ccccc2)C1
InChIInChI=1S/C14H15F6NO/c15-13(16,17)12(14(18,19)20)7-4-8-21(10-12)22-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyGOYVVOJJMVLCBB-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.32
Rot. Bonds3

About 1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine

1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine (PubChem CID 123228862) has the molecular formula C14H15F6NO and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine
PubChem CID123228862
Molecular FormulaC14H15F6NO
Molecular Weight327.27 g/mol
Exact Mass327.11
IUPAC Name1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)C1(C(F)(F)F)CCCN(OCc2ccccc2)C1
InChIInChI=1S/C14H15F6NO/c15-13(16,17)12(14(18,19)20)7-4-8-21(10-12)22-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyGOYVVOJJMVLCBB-UHFFFAOYSA-N
XLogP4.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine (CID 123228862) is 1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine is FC(F)(F)C1(C(F)(F)F)CCCN(OCc2ccccc2)C1.
What is the InChIKey of 1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine?
The InChIKey is GOYVVOJJMVLCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6NO/c15-13(16,17)12(14(18,19)20)7-4-8-21(10-12)22-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2.
What are the key properties of 1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine?
1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine has a molecular weight of 327.27 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3,3-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 123228862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).