[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone

C23H27NO2 — CID 56907474

IUPAC[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESC[C@@]1(O)CCN(C(=O)C2(c3ccccc3)CC2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H27NO2/c1-22(26)14-15-24(17-20(22)16-18-8-4-2-5-9-18)21(25)23(12-13-23)19-10-6-3-7-11-19/h2-11,20,26H,12-17H2,1H3/t20-,22+/m0/s1
InChIKeyLGWPZFKSRIHUQW-RBBKRZOGSA-N
MW349.47 g/mol
LogP3.56
Rot. Bonds4

About [(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone

[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 56907474) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is [(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID56907474
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESC[C@@]1(O)CCN(C(=O)C2(c3ccccc3)CC2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H27NO2/c1-22(26)14-15-24(17-20(22)16-18-8-4-2-5-9-18)21(25)23(12-13-23)19-10-6-3-7-11-19/h2-11,20,26H,12-17H2,1H3/t20-,22+/m0/s1
InChIKeyLGWPZFKSRIHUQW-RBBKRZOGSA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 56907474) is [(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone is C[C@@]1(O)CCN(C(=O)C2(c3ccccc3)CC2)C[C@@H]1Cc1ccccc1.
What is the InChIKey of [(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is LGWPZFKSRIHUQW-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H27NO2/c1-22(26)14-15-24(17-20(22)16-18-8-4-2-5-9-18)21(25)23(12-13-23)19-10-6-3-7-11-19/h2-11,20,26H,12-17H2,1H3/t20-,22+/m0/s1.
What are the key properties of [(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone?
[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 349.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 56907474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).