1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine

C15H20F3N — CID 139211011

IUPAC1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C15H20F3N/c16-15(17,18)14-8-11-19(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKeyJCRSYYNUSISDFK-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.89
Rot. Bonds4

About 1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine

1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine (PubChem CID 139211011) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine
PubChem CID139211011
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C15H20F3N/c16-15(17,18)14-8-11-19(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2
InChIKeyJCRSYYNUSISDFK-UHFFFAOYSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
CID 1388
Fenpropidin
CID 91694
Alverine
CID 3678
Piperidine, 1-(2-phenylethyl)-
CID 9513
4-Benzylpiperidine
CID 31738
Fenpiprane
CID 197785
Diphemanil
CID 6127
2-(4-Benzylpiperidin-1-yl)ethan-1-amine
CID 2779831
4-[(4-Fluorophenyl)methyl]piperidine hydrochloride
CID 17039492
4-(4-Fluoro-benzyl)-piperidine
CID 3699841
4-Phenyl-1-(4-phenylbutyl)piperidine
CID 3035672
MPTP hydrochloride
CID 161406

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine (CID 139211011) is 1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine is FC(F)(F)C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine?
The InChIKey is JCRSYYNUSISDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c16-15(17,18)14-8-11-19(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2.
What are the key properties of 1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine?
1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine has a molecular weight of 271.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 139211011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).