1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine

C17H18F3N — CID 155529386

IUPAC1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine
SMILESC#CCN1CCC(/C=C\c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H18F3N/c1-2-10-21-11-8-14(9-12-21)6-7-15-4-3-5-16(13-15)17(18,19)20/h1,3-7,13-14H,8-12H2/b7-6-
InChIKeyQIGDQLRDVTZNIB-SREVYHEPSA-N
MW293.33 g/mol
LogP4.06
Rot. Bonds3

About 1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine

1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine (PubChem CID 155529386) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine.

Molecular Properties

Compound Name1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine
PubChem CID155529386
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine
SMILESC#CCN1CCC(/C=C\c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H18F3N/c1-2-10-21-11-8-14(9-12-21)6-7-15-4-3-5-16(13-15)17(18,19)20/h1,3-7,13-14H,8-12H2/b7-6-
InChIKeyQIGDQLRDVTZNIB-SREVYHEPSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine?
The IUPAC name of 1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine (CID 155529386) is 1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine.
What is the SMILES notation for 1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine?
The canonical SMILES for 1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine is C#CCN1CCC(/C=C\c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine?
The InChIKey is QIGDQLRDVTZNIB-SREVYHEPSA-N. The full InChI is InChI=1S/C17H18F3N/c1-2-10-21-11-8-14(9-12-21)6-7-15-4-3-5-16(13-15)17(18,19)20/h1,3-7,13-14H,8-12H2/b7-6-.
What are the key properties of 1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine?
1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine has a molecular weight of 293.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-4-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]piperidine is sourced from PubChem (CID 155529386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).