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

C20H29ClFN6- — CID 53313628

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride
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/p-1
InChIKeyFHAHVQFWDFBRQI-UHFFFAOYSA-M
MW407.95 g/mol
LogP0.59
Rot. Bonds6

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

1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride (PubChem CID 53313628) has the molecular formula C20H29ClFN6- and a molecular weight of 407.95 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride
PubChem CID53313628
Molecular FormulaC20H29ClFN6-
Molecular Weight407.95 g/mol
Exact Mass407.21
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride
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/p-1
InChIKeyFHAHVQFWDFBRQI-UHFFFAOYSA-M
XLogP0.59
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 647944
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
CID 1443305
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
CID 3208678
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 6985994
1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1437638
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208679
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 1443256
1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208545
1-[(R)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1438445
1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 1448978
1-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208797
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride (CID 53313628) is 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride is CCCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1.[Cl-].
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride?
The InChIKey is FHAHVQFWDFBRQI-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride?
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride has a molecular weight of 407.95 g/mol, XLogP of 0.59, 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 chloride is sourced from PubChem (CID 53313628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).