[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C15H19F3N2O — CID 63595842

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCC(N)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O/c1-10(19)11-5-7-20(8-6-11)14(21)12-3-2-4-13(9-12)15(16,17)18/h2-4,9-11H,5-8,19H2,1H3
InChIKeyXEUSONBLMGPOSM-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.90
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 63595842) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID63595842
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCC(N)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O/c1-10(19)11-5-7-20(8-6-11)14(21)12-3-2-4-13(9-12)15(16,17)18/h2-4,9-11H,5-8,19H2,1H3
InChIKeyXEUSONBLMGPOSM-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
[4-(1-chloroethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 106839086
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide
CID 119520999
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
[3-(1-aminoethyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 119593899
[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119437119
[4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119518806
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 111470248
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 119518490
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 63595842) is [4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is CC(N)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is XEUSONBLMGPOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(19)11-5-7-20(8-6-11)14(21)12-3-2-4-13(9-12)15(16,17)18/h2-4,9-11H,5-8,19H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 300.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 63595842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).