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

C17H20F3N — CID 134366939

IUPAC1-prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESC#CCN1CCC(CCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H20F3N/c1-2-10-21-11-8-14(9-12-21)6-7-15-4-3-5-16(13-15)17(18,19)20/h1,3-5,13-14H,6-12H2
InChIKeyJCBDGKMIXGDXFQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.98
Rot. Bonds4

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

1-prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine (PubChem CID 134366939) has the molecular formula C17H20F3N and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name1-prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
PubChem CID134366939
Molecular FormulaC17H20F3N
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name1-prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESC#CCN1CCC(CCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H20F3N/c1-2-10-21-11-8-14(9-12-21)6-7-15-4-3-5-16(13-15)17(18,19)20/h1,3-5,13-14H,6-12H2
InChIKeyJCBDGKMIXGDXFQ-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.98
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-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The IUPAC name of 1-prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine (CID 134366939) is 1-prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine.
What is the SMILES notation for 1-prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The canonical SMILES for 1-prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine is C#CCN1CCC(CCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The InChIKey is JCBDGKMIXGDXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N/c1-2-10-21-11-8-14(9-12-21)6-7-15-4-3-5-16(13-15)17(18,19)20/h1,3-5,13-14H,6-12H2.
What are the key properties of 1-prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
1-prop-2-ynyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine has a molecular weight of 295.35 g/mol, XLogP of 3.98, 4 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-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine is sourced from PubChem (CID 134366939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).