3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol

C23H32N2OS — CID 154451020

IUPAC3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol
SMILESOC(CCc1ccccc1)C1CCN(CN2CCC(c3ccsc3)C2)CC1
InChIInChI=1S/C23H32N2OS/c26-23(7-6-19-4-2-1-3-5-19)20-8-12-24(13-9-20)18-25-14-10-21(16-25)22-11-15-27-17-22/h1-5,11,15,17,20-21,23,26H,6-10,12-14,16,18H2
InChIKeyWRPUEGQTXHFVFX-UHFFFAOYSA-N
MW384.59 g/mol
LogP4.20
Rot. Bonds7

About 3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol

3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol (PubChem CID 154451020) has the molecular formula C23H32N2OS and a molecular weight of 384.59 g/mol. Its IUPAC name is 3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol
PubChem CID154451020
Molecular FormulaC23H32N2OS
Molecular Weight384.59 g/mol
Exact Mass384.22
IUPAC Name3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol
SMILESOC(CCc1ccccc1)C1CCN(CN2CCC(c3ccsc3)C2)CC1
InChIInChI=1S/C23H32N2OS/c26-23(7-6-19-4-2-1-3-5-19)20-8-12-24(13-9-20)18-25-14-10-21(16-25)22-11-15-27-17-22/h1-5,11,15,17,20-21,23,26H,6-10,12-14,16,18H2
InChIKeyWRPUEGQTXHFVFX-UHFFFAOYSA-N
XLogP4.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol with MolForge

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Related Compounds

1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol
CID 70258735
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 134697917
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol
CID 111755658
2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134696518
2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131930592
1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 131897606
2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 135101846
3-cyclobutyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid;1-(1-methylpiperidin-4-yl)-3-phenylpropan-1-ol
CID 142021357
2-[[4-[(1S)-1-hydroxy-3-phenylpropyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 164642023
1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol
CID 115798373

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol?
The IUPAC name of 3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol (CID 154451020) is 3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol?
The canonical SMILES for 3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol is OC(CCc1ccccc1)C1CCN(CN2CCC(c3ccsc3)C2)CC1.
What is the InChIKey of 3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol?
The InChIKey is WRPUEGQTXHFVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2OS/c26-23(7-6-19-4-2-1-3-5-19)20-8-12-24(13-9-20)18-25-14-10-21(16-25)22-11-15-27-17-22/h1-5,11,15,17,20-21,23,26H,6-10,12-14,16,18H2.
What are the key properties of 3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol?
3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol has a molecular weight of 384.59 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 154451020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).