(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone

C23H28N2O2 — CID 56914215

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone
SMILESO=C(c1ccccc1C1CCNC1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c26-22(21-9-5-4-8-20(21)19-10-13-24-17-19)25-14-11-23(27,12-15-25)16-18-6-2-1-3-7-18/h1-9,19,24,27H,10-17H2
InChIKeyIRMYSCVNUVEMEL-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.97
Rot. Bonds4

About (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone (PubChem CID 56914215) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone
PubChem CID56914215
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone
SMILESO=C(c1ccccc1C1CCNC1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c26-22(21-9-5-4-8-20(21)19-10-13-24-17-19)25-14-11-23(27,12-15-25)16-18-6-2-1-3-7-18/h1-9,19,24,27H,10-17H2
InChIKeyIRMYSCVNUVEMEL-UHFFFAOYSA-N
XLogP2.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone (CID 56914215) is (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone is O=C(c1ccccc1C1CCNC1)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone?
The InChIKey is IRMYSCVNUVEMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-22(21-9-5-4-8-20(21)19-10-13-24-17-19)25-14-11-23(27,12-15-25)16-18-6-2-1-3-7-18/h1-9,19,24,27H,10-17H2.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone has a molecular weight of 364.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrrolidin-3-ylphenyl)methanone is sourced from PubChem (CID 56914215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).