(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone

C16H20F3NO — CID 21025548

IUPAC(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCC(C)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F3NO/c1-11(2)12-6-8-20(9-7-12)15(21)13-4-3-5-14(10-13)16(17,18)19/h3-5,10-12H,6-9H2,1-2H3
InChIKeyJFLBKGFKXPTDKZ-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.21
Rot. Bonds2

About (4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone

(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 21025548) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is (4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID21025548
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCC(C)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F3NO/c1-11(2)12-6-8-20(9-7-12)15(21)13-4-3-5-14(10-13)16(17,18)19/h3-5,10-12H,6-9H2,1-2H3
InChIKeyJFLBKGFKXPTDKZ-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(1-chloroethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 106839086
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 111470248
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
3-(4-propan-2-ylpiperidine-1-carbonyl)benzenecarbothioamide
CID 103495637
[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30864129
[3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63264345
[4-(methylamino)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 119560951
[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121151178

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 21025548) is (4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone is CC(C)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is JFLBKGFKXPTDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-11(2)12-6-8-20(9-7-12)15(21)13-4-3-5-14(10-13)16(17,18)19/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 299.34 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 21025548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).