1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine

C19H27FN6 — CID 647944

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
SMILESCCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1
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
MW358.47 g/mol
LogP3.20
Rot. Bonds5

About 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine

1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine (PubChem CID 647944) has the molecular formula C19H27FN6 and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
PubChem CID647944
Molecular FormulaC19H27FN6
Molecular Weight358.47 g/mol
Exact Mass358.23
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
SMILESCCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1
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
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride
CID 53313628
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
CID 1443305
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 857913
1-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208797
1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1438445
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 6985994
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
CID 3208678
1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1437638
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine
CID 3208531
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-methylpiperazine;hydrochloride
CID 171668130
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine
CID 1443209

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine (CID 647944) is 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine is CCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)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-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine?
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 358.47 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-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 647944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).