[4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone

C14H17F3N2O — CID 62155715

IUPAC[4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(N)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O/c1-9-3-2-6-19(8-9)13(20)10-4-5-12(18)11(7-10)14(15,16)17/h4-5,7,9H,2-3,6,8,18H2,1H3
InChIKeyJIHMGBVWRAMAHF-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.16
Rot. Bonds1

About [4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone

[4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 62155715) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is [4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID62155715
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name[4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(N)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O/c1-9-3-2-6-19(8-9)13(20)10-4-5-12(18)11(7-10)14(15,16)17/h4-5,7,9H,2-3,6,8,18H2,1H3
InChIKeyJIHMGBVWRAMAHF-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-amino-3-(trifluoromethyl)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942525
[4-amino-3-(trifluoromethyl)phenyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106673725
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
[4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180624
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492576
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
[3-amino-4-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 138911089
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
4-(3-methylpiperidin-1-yl)sulfonyl-2-(trifluoromethyl)aniline
CID 170459184
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone (CID 62155715) is [4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(N)c(C(F)(F)F)c2)C1.
What is the InChIKey of [4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is JIHMGBVWRAMAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9-3-2-6-19(8-9)13(20)10-4-5-12(18)11(7-10)14(15,16)17/h4-5,7,9H,2-3,6,8,18H2,1H3.
What are the key properties of [4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone?
[4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 286.30 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62155715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).