(4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride

C16H18ClF3N4O — CID 122147560

IUPAC(4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1
InChIInChI=1S/C16H17F3N4O.ClH/c17-16(18,19)14-4-7-21-23(14)13-3-1-2-11(10-13)15(24)22-8-5-12(20)6-9-22;/h1-4,7,10,12H,5-6,8-9,20H2;1H
InChIKeyBYXGFOPOCSQJSC-UHFFFAOYSA-N
MW374.79 g/mol
LogP2.88
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride (PubChem CID 122147560) has the molecular formula C16H18ClF3N4O and a molecular weight of 374.79 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
PubChem CID122147560
Molecular FormulaC16H18ClF3N4O
Molecular Weight374.79 g/mol
Exact Mass374.11
IUPAC Name(4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1
InChIInChI=1S/C16H17F3N4O.ClH/c17-16(18,19)14-4-7-21-23(14)13-3-1-2-11(10-13)15(24)22-8-5-12(20)6-9-22;/h1-4,7,10,12H,5-6,8-9,20H2;1H
InChIKeyBYXGFOPOCSQJSC-UHFFFAOYSA-N
XLogP2.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 124592426
[3-(methylaminomethyl)piperidin-1-yl]-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 119398944
4-fluoro-1-[3-[5-(trifluoromethyl)pyrazol-1-yl]benzoyl]pyrrolidine-2-carbonitrile
CID 166410725
N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000751
N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119630682
[1-[3-[5-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate
CID 166200370
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119429223
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119575990
(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
N-[(2S)-1-aminopropan-2-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 120505817
N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119559473

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride (CID 122147560) is (4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride is Cl.NC1CCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride?
The InChIKey is BYXGFOPOCSQJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O.ClH/c17-16(18,19)14-4-7-21-23(14)13-3-1-2-11(10-13)15(24)22-8-5-12(20)6-9-22;/h1-4,7,10,12H,5-6,8-9,20H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride has a molecular weight of 374.79 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride is sourced from PubChem (CID 122147560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).