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

C23H32N2OS — CID 70258735

IUPAC1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol
SMILESOC(CCC1CCN(CN2CCC(c3ccsc3)C2)CC1)c1ccccc1
InChIInChI=1S/C23H32N2OS/c26-23(20-4-2-1-3-5-20)7-6-19-8-12-24(13-9-19)18-25-14-10-21(16-25)22-11-15-27-17-22/h1-5,11,15,17,19,21,23,26H,6-10,12-14,16,18H2
InChIKeyPBVJAGPLPOFJJC-UHFFFAOYSA-N
MW384.59 g/mol
LogP4.72
Rot. Bonds7

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

1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol (PubChem CID 70258735) has the molecular formula C23H32N2OS and a molecular weight of 384.59 g/mol. Its IUPAC name is 1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol
PubChem CID70258735
Molecular FormulaC23H32N2OS
Molecular Weight384.59 g/mol
Exact Mass384.22
IUPAC Name1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol
SMILESOC(CCC1CCN(CN2CCC(c3ccsc3)C2)CC1)c1ccccc1
InChIInChI=1S/C23H32N2OS/c26-23(20-4-2-1-3-5-20)7-6-19-8-12-24(13-9-19)18-25-14-10-21(16-25)22-11-15-27-17-22/h1-5,11,15,17,19,21,23,26H,6-10,12-14,16,18H2
InChIKeyPBVJAGPLPOFJJC-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

3-phenyl-1-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol
CID 154451020
actinium;(3,4-dichlorophenyl)-[3-[[4-(3-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 20694414
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612776
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
CID 95290947
1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine
CID 131703026
3-phenylsulfanyl-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
CID 71786987
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid
CID 136550647

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol?
The IUPAC name of 1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol (CID 70258735) is 1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol?
The canonical SMILES for 1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol is OC(CCC1CCN(CN2CCC(c3ccsc3)C2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol?
The InChIKey is PBVJAGPLPOFJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2OS/c26-23(20-4-2-1-3-5-20)7-6-19-8-12-24(13-9-19)18-25-14-10-21(16-25)22-11-15-27-17-22/h1-5,11,15,17,19,21,23,26H,6-10,12-14,16,18H2.
What are the key properties of 1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol?
1-phenyl-3-[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 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[1-[(3-thiophen-3-ylpyrrolidin-1-yl)methyl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 70258735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).