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

C21H20F3N — CID 11267900

IUPAC1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine
SMILESFC(F)(F)c1ccc(C(C#Cc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C21H20F3N/c22-21(23,24)19-12-10-18(11-13-19)20(25-15-5-2-6-16-25)14-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20H,2,5-6,15-16H2
InChIKeyIIZQJJMRSICKNM-UHFFFAOYSA-N
MW343.39 g/mol
LogP5.28
Rot. Bonds2

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

1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine (PubChem CID 11267900) has the molecular formula C21H20F3N and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine.

Molecular Properties

Compound Name1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine
PubChem CID11267900
Molecular FormulaC21H20F3N
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine
SMILESFC(F)(F)c1ccc(C(C#Cc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C21H20F3N/c22-21(23,24)19-12-10-18(11-13-19)20(25-15-5-2-6-16-25)14-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20H,2,5-6,15-16H2
InChIKeyIIZQJJMRSICKNM-UHFFFAOYSA-N
XLogP5.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phencyclidine
CID 6468
Cyclizine
CID 6726
Flunarizine
CID 941361
Cyclizine Hydrochloride
CID 6420019
Diphenidine
CID 206666
1-(4-(4-(Piperidin-1-ylmethyl)phenyl)but-3-ynyl)piperidine
CID 10193212
N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine
CID 10236303
2-Benzyl-1-(5-phenylpentyl)piperidine
CID 54087039
4-Benzyl-1-(3,4-difluorobenzyl)piperidine
CID 1377232
N-benzyl-N-(2-phenylethyl)-1-propyl-4-piperidinamine
CID 2846300
1-(Bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propen-1-yl)piperazine
CID 3378
1-(1,2-Diphenylethyl)piperidine;hydrochloride
CID 206665

Frequently Asked Questions

What is the IUPAC name of 1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine?
The IUPAC name of 1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine (CID 11267900) is 1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine.
What is the SMILES notation for 1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine?
The canonical SMILES for 1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine is FC(F)(F)c1ccc(C(C#Cc2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of 1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine?
The InChIKey is IIZQJJMRSICKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N/c22-21(23,24)19-12-10-18(11-13-19)20(25-15-5-2-6-16-25)14-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20H,2,5-6,15-16H2.
What are the key properties of 1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine?
1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine has a molecular weight of 343.39 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine is sourced from PubChem (CID 11267900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).