(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone

C15H18F3NO — CID 59744658

IUPAC(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone
SMILESCCCC1(C(=O)c2cc(F)c(F)c(F)c2)CCCNC1
InChIInChI=1S/C15H18F3NO/c1-2-4-15(5-3-6-19-9-15)14(20)10-7-11(16)13(18)12(17)8-10/h7-8,19H,2-6,9H2,1H3
InChIKeyFNFKZYYQLOGCQA-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.46
Rot. Bonds4

About (3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone

(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 59744658) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is (3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone
PubChem CID59744658
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone
SMILESCCCC1(C(=O)c2cc(F)c(F)c(F)c2)CCCNC1
InChIInChI=1S/C15H18F3NO/c1-2-4-15(5-3-6-19-9-15)14(20)10-7-11(16)13(18)12(17)8-10/h7-8,19H,2-6,9H2,1H3
InChIKeyFNFKZYYQLOGCQA-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
(2-fluorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569677
(7-fluoro-1H-indol-5-yl)-[(3S)-3-propylpyrrolidin-3-yl]methanone
CID 59744843
(2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 106883026
2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone
CID 116569748
(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569714
(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744940
3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 63132688
(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569681
(5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone
CID 116569633
1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone
CID 114736555
2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 114350405

Frequently Asked Questions

What is the IUPAC name of (3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone (CID 59744658) is (3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone is CCCC1(C(=O)c2cc(F)c(F)c(F)c2)CCCNC1.
What is the InChIKey of (3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is FNFKZYYQLOGCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-2-4-15(5-3-6-19-9-15)14(20)10-7-11(16)13(18)12(17)8-10/h7-8,19H,2-6,9H2,1H3.
What are the key properties of (3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone?
(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 285.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 59744658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).