(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone

C16H19N3O2 — CID 114680189

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(-n3cccn3)cc2)CCC1O
InChIInChI=1S/C16H19N3O2/c1-12-11-18(10-7-15(12)20)16(21)13-3-5-14(6-4-13)19-9-2-8-17-19/h2-6,8-9,12,15,20H,7,10-11H2,1H3
InChIKeyGSBBMVUSZXUNTP-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.72
Rot. Bonds2

About (4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone

(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 114680189) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
PubChem CID114680189
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(-n3cccn3)cc2)CCC1O
InChIInChI=1S/C16H19N3O2/c1-12-11-18(10-7-15(12)20)16(21)13-3-5-14(6-4-13)19-9-2-8-17-19/h2-6,8-9,12,15,20H,7,10-11H2,1H3
InChIKeyGSBBMVUSZXUNTP-UHFFFAOYSA-N
XLogP1.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 9462299
(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 55176659
N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
CID 43064091
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 114678581
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
[4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119662498
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione
CID 66083192

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone (CID 114680189) is (4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone is CC1CN(C(=O)c2ccc(-n3cccn3)cc2)CCC1O.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is GSBBMVUSZXUNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-11-18(10-7-15(12)20)16(21)13-3-5-14(6-4-13)19-9-2-8-17-19/h2-6,8-9,12,15,20H,7,10-11H2,1H3.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 114680189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).