1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine

C18H25FN6 — CID 644709

IUPAC1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
SMILESFc1ccc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C18H25FN6/c19-16-7-5-15(6-8-16)13-25-18(20-21-22-25)14-23-9-11-24(12-10-23)17-3-1-2-4-17/h5-8,17H,1-4,9-14H2
InChIKeyNUVIKTFIUDCSBH-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.92
Rot. Bonds5

About 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine

1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine (PubChem CID 644709) has the molecular formula C18H25FN6 and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
PubChem CID644709
Molecular FormulaC18H25FN6
Molecular Weight344.44 g/mol
Exact Mass344.21
IUPAC Name1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
SMILESFc1ccc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C18H25FN6/c19-16-7-5-15(6-8-16)13-25-18(20-21-22-25)14-23-9-11-24(12-10-23)17-3-1-2-4-17/h5-8,17H,1-4,9-14H2
InChIKeyNUVIKTFIUDCSBH-UHFFFAOYSA-N
XLogP1.92
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine 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

1-[(1-Benzyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine
CID 3193465
1-Benzhydryl-4-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-piperazine
CID 3209083
[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-diethyl-amine
CID 6603118
N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158813
1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159170
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-methyl-1,4-diazepane
CID 49865047
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-ethyl-1,4-diazepane
CID 49865048
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclopentyl-1,4-diazepane
CID 49865109
1-[4-(5-Benzhydryltetrazol-1-yl)butyl]-4-benzylpiperazine
CID 137656433
6-[4-(4-Fluorobenzyl)piperazin-1-yl]-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazine
CID 46893453
4-[(1-Benzyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-thiomorpholine
CID 645972

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine (CID 644709) is 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine is Fc1ccc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The InChIKey is NUVIKTFIUDCSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6/c19-16-7-5-15(6-8-16)13-25-18(20-21-22-25)14-23-9-11-24(12-10-23)17-3-1-2-4-17/h5-8,17H,1-4,9-14H2.
What are the key properties of 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine?
1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine has a molecular weight of 344.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 644709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).