1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine

C17H22F3NO — CID 155062170

IUPAC1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine
SMILESCCc1cc(OC2CCN(C3CC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H22F3NO/c1-2-12-9-13(17(18,19)20)11-16(10-12)22-15-5-7-21(8-6-15)14-3-4-14/h9-11,14-15H,2-8H2,1H3
InChIKeyVAKMJXKYMPVTJH-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.27
Rot. Bonds4

About 1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine

1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine (PubChem CID 155062170) has the molecular formula C17H22F3NO and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound Name1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine
PubChem CID155062170
Molecular FormulaC17H22F3NO
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC Name1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine
SMILESCCc1cc(OC2CCN(C3CC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H22F3NO/c1-2-12-9-13(17(18,19)20)11-16(10-12)22-15-5-7-21(8-6-15)14-3-4-14/h9-11,14-15H,2-8H2,1H3
InChIKeyVAKMJXKYMPVTJH-UHFFFAOYSA-N
XLogP4.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of 1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine (CID 155062170) is 1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for 1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for 1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine is CCc1cc(OC2CCN(C3CC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is VAKMJXKYMPVTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO/c1-2-12-9-13(17(18,19)20)11-16(10-12)22-15-5-7-21(8-6-15)14-3-4-14/h9-11,14-15H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine?
1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 313.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[3-ethyl-5-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 155062170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).