[4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C14H16F4N2O — CID 68838032

IUPAC[4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESNCC1(F)CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H16F4N2O/c15-13(9-19)4-6-20(7-5-13)12(21)10-2-1-3-11(8-10)14(16,17)18/h1-3,8H,4-7,9,19H2
InChIKeyZOAZIQMWEBKCPC-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.61
Rot. Bonds2

About [4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 68838032) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is [4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID68838032
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name[4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESNCC1(F)CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H16F4N2O/c15-13(9-19)4-6-20(7-5-13)12(21)10-2-1-3-11(8-10)14(16,17)18/h1-3,8H,4-7,9,19H2
InChIKeyZOAZIQMWEBKCPC-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-4-methylazepan-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 107406050
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
(4-aminophenyl)-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119720545
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 125021815
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 167871863
[(2S)-2-(aminomethyl)-1,4-oxazepan-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 170896979
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide
CID 86993504
4-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 120588663
1'-[3-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260579

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 68838032) is [4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is NCC1(F)CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZOAZIQMWEBKCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-13(9-19)4-6-20(7-5-13)12(21)10-2-1-3-11(8-10)14(16,17)18/h1-3,8H,4-7,9,19H2.
What are the key properties of [4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 304.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 68838032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).