(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride

C13H16ClF3N2O2 — CID 119380259

IUPAC(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C13H15F3N2O2.ClH/c14-13(15,16)20-11-5-3-9(4-6-11)12(19)18-7-1-2-10(17)8-18;/h3-6,10H,1-2,7-8,17H2;1H
InChIKeyHDIJMLUAVADQGM-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.57
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride (PubChem CID 119380259) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
PubChem CID119380259
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC Name(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C13H15F3N2O2.ClH/c14-13(15,16)20-11-5-3-9(4-6-11)12(19)18-7-1-2-10(17)8-18;/h3-6,10H,1-2,7-8,17H2;1H
InChIKeyHDIJMLUAVADQGM-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone;hydrochloride
CID 119381637
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124575485
(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
CID 119377677
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
(3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629082
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 95340983
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124592579
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 106671585
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
(3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride
CID 119380613
(3-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119579326
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride (CID 119380259) is (3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
The InChIKey is HDIJMLUAVADQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2.ClH/c14-13(15,16)20-11-5-3-9(4-6-11)12(19)18-7-1-2-10(17)8-18;/h3-6,10H,1-2,7-8,17H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride has a molecular weight of 324.73 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119380259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).