[3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C15H19F3N2O — CID 63765933

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESNCCC1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)13-5-3-12(4-6-13)14(21)20-9-1-2-11(10-20)7-8-19/h3-6,11H,1-2,7-10,19H2
InChIKeyMCHVTQCZEACBJC-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.91
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 63765933) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID63765933
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESNCCC1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)13-5-3-12(4-6-13)14(21)20-9-1-2-11(10-20)7-8-19/h3-6,11H,1-2,7-10,19H2
InChIKeyMCHVTQCZEACBJC-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride
CID 120727628
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
[3-(2-chloroethyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 114801098
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 63765932
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 63766901
1-(4-methylphenyl)-3-[[(3R)-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]urea
CID 52513508
[3-(2-aminoethyl)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone;hydrochloride
CID 154891370
4-(3-propylpiperidine-1-carbonyl)benzamide
CID 119163399

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 63765933) is [3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is NCCC1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is MCHVTQCZEACBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)13-5-3-12(4-6-13)14(21)20-9-1-2-11(10-20)7-8-19/h3-6,11H,1-2,7-10,19H2.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 300.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 63765933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).