(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride

C17H22ClFN4O — CID 119376909

IUPAC(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC(N)CC3)cc2F)n1.Cl
InChIInChI=1S/C17H21FN4O.ClH/c1-11-9-12(2)22(20-11)16-4-3-13(10-15(16)18)17(23)21-7-5-14(19)6-8-21;/h3-4,9-10,14H,5-8,19H2,1-2H3;1H
InChIKeyKBHIDTZHMYUJJP-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.61
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride (PubChem CID 119376909) has the molecular formula C17H22ClFN4O and a molecular weight of 352.84 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride
PubChem CID119376909
Molecular FormulaC17H22ClFN4O
Molecular Weight352.84 g/mol
Exact Mass352.15
IUPAC Name(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC(N)CC3)cc2F)n1.Cl
InChIInChI=1S/C17H21FN4O.ClH/c1-11-9-12(2)22(20-11)16-4-3-13(10-15(16)18)17(23)21-7-5-14(19)6-8-21;/h3-4,9-10,14H,5-8,19H2,1-2H3;1H
InChIKeyKBHIDTZHMYUJJP-UHFFFAOYSA-N
XLogP2.61
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 119520955
[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434091
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119376722
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 119664685
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 124595459
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 124590558
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]piperidine-2-carboxylic acid
CID 119175856
2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid
CID 119247842
(3R)-4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholine-3-carboxylic acid
CID 125153884
4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
CID 43658360
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
CID 119459600

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride (CID 119376909) is (4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride is Cc1cc(C)n(-c2ccc(C(=O)N3CCC(N)CC3)cc2F)n1.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride?
The InChIKey is KBHIDTZHMYUJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O.ClH/c1-11-9-12(2)22(20-11)16-4-3-13(10-15(16)18)17(23)21-7-5-14(19)6-8-21;/h3-4,9-10,14H,5-8,19H2,1-2H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 2.61, 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)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride is sourced from PubChem (CID 119376909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).