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

C18H24ClF3N2O — CID 119518806

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)C2CC2c2cccc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C18H23F3N2O.ClH/c1-11(22)12-5-7-23(8-6-12)17(24)16-10-15(16)13-3-2-4-14(9-13)18(19,20)21;/h2-4,9,11-12,15-16H,5-8,10,22H2,1H3;1H
InChIKeyLAQXZOBYDABRKL-UHFFFAOYSA-N
MW376.85 g/mol
LogP3.82
Rot. Bonds3

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

[4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride (PubChem CID 119518806) has the molecular formula C18H24ClF3N2O and a molecular weight of 376.85 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
PubChem CID119518806
Molecular FormulaC18H24ClF3N2O
Molecular Weight376.85 g/mol
Exact Mass376.15
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)C2CC2c2cccc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C18H23F3N2O.ClH/c1-11(22)12-5-7-23(8-6-12)17(24)16-10-15(16)13-3-2-4-14(9-13)18(19,20)21;/h2-4,9,11-12,15-16H,5-8,10,22H2,1H3;1H
InChIKeyLAQXZOBYDABRKL-UHFFFAOYSA-N
XLogP3.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methylamino)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119561835
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 86937419
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
[4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
CID 119519297
[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 119519871
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 119544756
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 119516884
[4-(3-aminopropoxy)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119663068
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 130471079
[(3R)-3-methylpiperazin-1-yl]-[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124620612
(3-piperazin-1-ylpyrrolidin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 120996310

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride (CID 119518806) is [4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride is CC(N)C1CCN(C(=O)C2CC2c2cccc(C(F)(F)F)c2)CC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride?
The InChIKey is LAQXZOBYDABRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O.ClH/c1-11(22)12-5-7-23(8-6-12)17(24)16-10-15(16)13-3-2-4-14(9-13)18(19,20)21;/h2-4,9,11-12,15-16H,5-8,10,22H2,1H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride has a molecular weight of 376.85 g/mol, XLogP of 3.82, 3 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]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride is sourced from PubChem (CID 119518806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).