(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride

C12H14ClF3N2O — CID 119374876

IUPAC(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C12H13F3N2O.ClH/c13-9-2-1-8(10(14)11(9)15)12(18)17-5-3-7(16)4-6-17;/h1-2,7H,3-6,16H2;1H
InChIKeyQOSDRLRSUBMHJO-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.09
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride (PubChem CID 119374876) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
PubChem CID119374876
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C12H13F3N2O.ClH/c13-9-2-1-8(10(14)11(9)15)12(18)17-5-3-7(16)4-6-17;/h1-2,7H,3-6,16H2;1H
InChIKeyQOSDRLRSUBMHJO-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboximidamide
CID 79754702
[4-(azepan-1-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110667097
piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119401952
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
[3-(2-aminoethyl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 120727748
(3,4-dihydroxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 106671138
(3-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 103900375
(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone
CID 110464956
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119373691
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
cyclopentyl-[4-(2,3,4-trifluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797846
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride (CID 119374876) is (4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride is Cl.NC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride?
The InChIKey is QOSDRLRSUBMHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O.ClH/c13-9-2-1-8(10(14)11(9)15)12(18)17-5-3-7(16)4-6-17;/h1-2,7H,3-6,16H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride has a molecular weight of 294.70 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119374876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).