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

C19H25N3O2 — CID 156601780

IUPAC[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCN(C)C1CN(C(=O)c2cccn2C)CCC1(O)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-20(2)17-14-22(18(23)16-10-7-12-21(16)3)13-11-19(17,24)15-8-5-4-6-9-15/h4-10,12,17,24H,11,13-14H2,1-3H3
InChIKeyXDDFXDCFSOBJRN-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.69
Rot. Bonds3

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

[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 156601780) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID156601780
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCN(C)C1CN(C(=O)c2cccn2C)CCC1(O)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-20(2)17-14-22(18(23)16-10-7-12-21(16)3)13-11-19(17,24)15-8-5-4-6-9-15/h4-10,12,17,24H,11,13-14H2,1-3H3
InChIKeyXDDFXDCFSOBJRN-UHFFFAOYSA-N
XLogP1.69
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
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]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 156601780) is [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is CN(C)C1CN(C(=O)c2cccn2C)CCC1(O)c1ccccc1.
What is the InChIKey of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is XDDFXDCFSOBJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-20(2)17-14-22(18(23)16-10-7-12-21(16)3)13-11-19(17,24)15-8-5-4-6-9-15/h4-10,12,17,24H,11,13-14H2,1-3H3.
What are the key properties of [3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 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]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 156601780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).