1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-(2-fluoro-phenyl)-piperazine

C19H27FN6 — CID 647944

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
SMILESCCC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C4=CC=CC=C4F
InChIInChI=1S/C19H27FN6/c1-2-17(19-21-22-23-26(19)15-7-3-4-8-15)24-11-13-25(14-12-24)18-10-6-5-9-16(18)20/h5-6,9-10,15,17H,2-4,7-8,11-14H2,1H3
InChIKeyUBPGZFYNOAIHHT-UHFFFAOYSA-N
MW358.50 g/mol
LogP3.20
Rot. Bonds5

About 1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-(2-fluoro-phenyl)-piperazine

1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-(2-fluoro-phenyl)-piperazine (PubChem CID 647944) has the molecular formula C19H27FN6 and a molecular weight of 358.50 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-(2-fluoro-phenyl)-piperazine
PubChem CID647944
Molecular FormulaC19H27FN6
Molecular Weight358.50 g/mol
Exact Mass358.23
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
SMILESCCC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C4=CC=CC=C4F
InChIInChI=1S/C19H27FN6/c1-2-17(19-21-22-23-26(19)15-7-3-4-8-15)24-11-13-25(14-12-24)18-10-6-5-9-16(18)20/h5-6,9-10,15,17H,2-4,7-8,11-14H2,1H3
InChIKeyUBPGZFYNOAIHHT-UHFFFAOYSA-N
XLogP3.20
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity438

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
1-(4-fluorophenyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
CID 1448756
N,N-dimethyl-1-(1-phenyltetrazol-5-yl)methanamine
CID 3826763
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-phenyl-piperazine
CID 647993
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
1-(3-Chloro-phenyl)-4-[1-(1-isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazine
CID 651221
1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-4-phenyl-piperazine
CID 653777
5-[4-(4-fluorophenyl)piperazino]-1-methyl-1H-1,2,4-triazol-3-amine
CID 2764707
1-[1-(1-Tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine
CID 3208847
1-[1-(1-Isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-phenyl-piperazine
CID 3209417

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-(2-fluoro-phenyl)-piperazine?
The IUPAC name of 1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-(2-fluoro-phenyl)-piperazine (CID 647944) is 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-(2-fluoro-phenyl)-piperazine?
The canonical SMILES for 1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-(2-fluoro-phenyl)-piperazine is CCC(C1=NN=NN1C2CCCC2)N3CCN(CC3)C4=CC=CC=C4F.
What is the InChIKey of 1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-(2-fluoro-phenyl)-piperazine?
The InChIKey is UBPGZFYNOAIHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6/c1-2-17(19-21-22-23-26(19)15-7-3-4-8-15)24-11-13-25(14-12-24)18-10-6-5-9-16(18)20/h5-6,9-10,15,17H,2-4,7-8,11-14H2,1H3.
What are the key properties of 1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-(2-fluoro-phenyl)-piperazine?
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-(2-fluoro-phenyl)-piperazine has a molecular weight of 358.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-(2-fluoro-phenyl)-piperazine is sourced from PubChem (CID 647944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).