[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

C19H26N4O2 — CID 156601686

IUPAC[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CCC(O)(c2ccccc2)C(N(C)C)C1
InChIInChI=1S/C19H26N4O2/c1-4-23-16(10-12-20-23)18(24)22-13-11-19(25,17(14-22)21(2)3)15-8-6-5-7-9-15/h5-10,12,17,25H,4,11,13-14H2,1-3H3
InChIKeyKXDLRKULKHKSFO-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.57
Rot. Bonds4

About [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 156601686) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID156601686
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CCC(O)(c2ccccc2)C(N(C)C)C1
InChIInChI=1S/C19H26N4O2/c1-4-23-16(10-12-20-23)18(24)22-13-11-19(25,17(14-22)21(2)3)15-8-6-5-7-9-15/h5-10,12,17,25H,4,11,13-14H2,1-3H3
InChIKeyKXDLRKULKHKSFO-UHFFFAOYSA-N
XLogP1.57
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (CID 156601686) is [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)N1CCC(O)(c2ccccc2)C(N(C)C)C1.
What is the InChIKey of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is KXDLRKULKHKSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-23-16(10-12-20-23)18(24)22-13-11-19(25,17(14-22)21(2)3)15-8-6-5-7-9-15/h5-10,12,17,25H,4,11,13-14H2,1-3H3.
What are the key properties of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 156601686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).