1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride

C20H30ClFN6 — CID 6603068

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride
SMILESCCCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1.Cl
InChIInChI=1S/C20H29FN6.ClH/c1-2-7-19(20-22-23-24-27(20)16-8-3-4-9-16)26-14-12-25(13-15-26)18-11-6-5-10-17(18)21;/h5-6,10-11,16,19H,2-4,7-9,12-15H2,1H3;1H
InChIKeyFHAHVQFWDFBRQI-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.01
Rot. Bonds6

About 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride

1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride (PubChem CID 6603068) has the molecular formula C20H30ClFN6 and a molecular weight of 408.95 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride
PubChem CID6603068
Molecular FormulaC20H30ClFN6
Molecular Weight408.95 g/mol
Exact Mass408.22
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride
SMILESCCCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1.Cl
InChIInChI=1S/C20H29FN6.ClH/c1-2-7-19(20-22-23-24-27(20)16-8-3-4-9-16)26-14-12-25(13-15-26)18-11-6-5-10-17(18)21;/h5-6,10-11,16,19H,2-4,7-9,12-15H2,1H3;1H
InChIKeyFHAHVQFWDFBRQI-UHFFFAOYSA-N
XLogP4.01
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.01
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
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
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
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
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-(2-fluoro-phenyl)-piperazine
CID 6602593
4-[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazin-8-yl]-N,N-dimethylaniline
CID 118169448
4-[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazin-8-yl]-N,N-dimethylaniline
CID 118169545

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride (CID 6603068) is 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride is CCCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1.Cl.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride?
The InChIKey is FHAHVQFWDFBRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN6.ClH/c1-2-7-19(20-22-23-24-27(20)16-8-3-4-9-16)26-14-12-25(13-15-26)18-11-6-5-10-17(18)21;/h5-6,10-11,16,19H,2-4,7-9,12-15H2,1H3;1H.
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride?
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride has a molecular weight of 408.95 g/mol, XLogP of 4.01, 6 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)butyl]-4-(2-fluorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 6603068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).