[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride

C15H20ClF3N2O2 — CID 119436639

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C15H19F3N2O2.ClH/c1-10(19)13-4-2-3-9-20(13)14(21)11-5-7-12(8-6-11)22-15(16,17)18;/h5-8,10,13H,2-4,9,19H2,1H3;1H
InChIKeyUQGDAPNOXWGQOL-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.35
Rot. Bonds3

About [2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride (PubChem CID 119436639) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
PubChem CID119436639
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C15H19F3N2O2.ClH/c1-10(19)13-4-2-3-9-20(13)14(21)11-5-7-12(8-6-11)22-15(16,17)18;/h5-8,10,13H,2-4,9,19H2,1H3;1H
InChIKeyUQGDAPNOXWGQOL-UHFFFAOYSA-N
XLogP3.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
CID 119436878
[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119437119
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124689263
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119597224
[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 63255158
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 119434986
[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119435560
1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine
CID 63254456
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119436332
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 119436705

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride (CID 119436639) is [2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride is CC(N)C1CCCCN1C(=O)c1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
The InChIKey is UQGDAPNOXWGQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2.ClH/c1-10(19)13-4-2-3-9-20(13)14(21)11-5-7-12(8-6-11)22-15(16,17)18;/h5-8,10,13H,2-4,9,19H2,1H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride has a molecular weight of 352.78 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119436639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).