1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine

C27H31FN2S — CID 18364739

IUPAC1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CCN(CC3CN(Cc4ccccc4)CC3c3ccsc3)CC2)cc1
InChIInChI=1S/C27H31FN2S/c28-26-8-6-22(7-9-26)23-10-13-29(14-11-23)17-25-18-30(16-21-4-2-1-3-5-21)19-27(25)24-12-15-31-20-24/h1-9,12,15,20,23,25,27H,10-11,13-14,16-19H2
InChIKeyGUGHVQFJCKOQDU-UHFFFAOYSA-N
MW434.62 g/mol
LogP5.98
Rot. Bonds6

About 1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine

1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine (PubChem CID 18364739) has the molecular formula C27H31FN2S and a molecular weight of 434.62 g/mol. Its IUPAC name is 1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine
PubChem CID18364739
Molecular FormulaC27H31FN2S
Molecular Weight434.62 g/mol
Exact Mass434.22
IUPAC Name1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CCN(CC3CN(Cc4ccccc4)CC3c3ccsc3)CC2)cc1
InChIInChI=1S/C27H31FN2S/c28-26-8-6-22(7-9-26)23-10-13-29(14-11-23)17-25-18-30(16-21-4-2-1-3-5-21)19-27(25)24-12-15-31-20-24/h1-9,12,15,20,23,25,27H,10-11,13-14,16-19H2
InChIKeyGUGHVQFJCKOQDU-UHFFFAOYSA-N
XLogP5.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine 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-ethyl-6-[(2-fluorophenyl)methyl]-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 16028485
1-[(3S,4S)-1-Benzyl-4-(3-thiophen-3-yl-phenyl)-pyrrolidin-3-ylmethyl]-4-phenyl-piperidine
CID 44325511
4-(4-fluorophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54581760
(4S,9aS)-4-phenyl-4,5,7,8,9,9a-hexahydrothieno[2,3-g]indolizine;hydrobromide
CID 54584696
1-[3-(1-benzothiophen-3-yl)-3-pyrrolidin-1-ylpropyl]-4-benzyl-3,6-dihydro-2H-pyridine
CID 118714012
1-[3-(1-benzothiophen-3-yl)-3-piperidin-1-ylpropyl]-4-benzyl-3,6-dihydro-2H-pyridine
CID 118714013
N-methyl-1-[1-[2-(4-phenylphenyl)ethyl]piperidin-4-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 168282802
N-((4-fluoro-1-(thien-3-ylmethyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453456
3-ethyl-6-[(3-fluorophenyl)methyl]-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 16028483
3-ethyl-6-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 16028487
({1-[2-(2-Fluorophenyl)ethyl]-4-piperidinyl}methyl)methyl(3-thienylmethyl)amine
CID 42457179
1-Allyl-4-[phenyl-(4-thiophen-2-yl-phenyl)-methyl]-piperazine
CID 44275523

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine?
The IUPAC name of 1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine (CID 18364739) is 1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine.
What is the SMILES notation for 1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine?
The canonical SMILES for 1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine is Fc1ccc(C2CCN(CC3CN(Cc4ccccc4)CC3c3ccsc3)CC2)cc1.
What is the InChIKey of 1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine?
The InChIKey is GUGHVQFJCKOQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2S/c28-26-8-6-22(7-9-26)23-10-13-29(14-11-23)17-25-18-30(16-21-4-2-1-3-5-21)19-27(25)24-12-15-31-20-24/h1-9,12,15,20,23,25,27H,10-11,13-14,16-19H2.
What are the key properties of 1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine?
1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine has a molecular weight of 434.62 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine is sourced from PubChem (CID 18364739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).