(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride

C17H22ClFN4O — CID 120815955

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)CCC1N.Cl
InChIInChI=1S/C17H21FN4O.ClH/c1-17(2)10-22(8-7-14(17)19)16(23)13-9-20-21-15(13)11-3-5-12(18)6-4-11;/h3-6,9,14H,7-8,10,19H2,1-2H3,(H,20,21);1H
InChIKeyAFZNKZUEMVZPMB-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.84
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride (PubChem CID 120815955) has the molecular formula C17H22ClFN4O and a molecular weight of 352.84 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
PubChem CID120815955
Molecular FormulaC17H22ClFN4O
Molecular Weight352.84 g/mol
Exact Mass352.15
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)CCC1N.Cl
InChIInChI=1S/C17H21FN4O.ClH/c1-17(2)10-22(8-7-14(17)19)16(23)13-9-20-21-15(13)11-3-5-12(18)6-4-11;/h3-6,9,14H,7-8,10,19H2,1-2H3,(H,20,21);1H
InChIKeyAFZNKZUEMVZPMB-UHFFFAOYSA-N
XLogP2.84
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119376653
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 120815954
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276648
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 120658691
(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120818433
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 120819745
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 120820413
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 120819643
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 120814282
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone;hydrochloride
CID 120816531

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride (CID 120815955) is (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride is CC1(C)CN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride?
The InChIKey is AFZNKZUEMVZPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O.ClH/c1-17(2)10-22(8-7-14(17)19)16(23)13-9-20-21-15(13)11-3-5-12(18)6-4-11;/h3-6,9,14H,7-8,10,19H2,1-2H3,(H,20,21);1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120815955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).