[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C18H24N4O2 — CID 156601781

IUPAC[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(O)(c3ccccc3)C(N(C)C)C2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-13-11-15(20-19-13)17(23)22-10-9-18(24,16(12-22)21(2)3)14-7-5-4-6-8-14/h4-8,11,16,24H,9-10,12H2,1-3H3,(H,19,20)
InChIKeyATIHUBQQGYCQHH-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.38
Rot. Bonds3

About [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 156601781) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID156601781
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(O)(c3ccccc3)C(N(C)C)C2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-13-11-15(20-19-13)17(23)22-10-9-18(24,16(12-22)21(2)3)14-7-5-4-6-8-14/h4-8,11,16,24H,9-10,12H2,1-3H3,(H,19,20)
InChIKeyATIHUBQQGYCQHH-UHFFFAOYSA-N
XLogP1.38
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 156601781) is [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(O)(c3ccccc3)C(N(C)C)C2)n[nH]1.
What is the InChIKey of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is ATIHUBQQGYCQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-11-15(20-19-13)17(23)22-10-9-18(24,16(12-22)21(2)3)14-7-5-4-6-8-14/h4-8,11,16,24H,9-10,12H2,1-3H3,(H,19,20).
What are the key properties of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 156601781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).