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

C19H26N4O2 — CID 87053344

IUPAC[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CCC(O)(c2ccccc2)[C@H](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/t17-,19?/m1/s1
InChIKeyKXDLRKULKHKSFO-DUSLRRAJSA-N
MW342.44 g/mol
LogP1.57
Rot. Bonds4

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

[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 87053344) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID87053344
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CCC(O)(c2ccccc2)[C@H](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/t17-,19?/m1/s1
InChIKeyKXDLRKULKHKSFO-DUSLRRAJSA-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 [(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (CID 87053344) is [(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)N1CCC(O)(c2ccccc2)[C@H](N(C)C)C1.
What is the InChIKey of [(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is KXDLRKULKHKSFO-DUSLRRAJSA-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/t17-,19?/m1/s1.
What are the key properties of [(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
[(3R)-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 [(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 87053344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).