1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride

C21H32ClFN6 — CID 6602646

IUPAC1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride
SMILESCC(C)(C)n1nnnc1C(c1ccccc1F)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C21H31FN6.ClH/c1-21(2,3)28-20(23-24-25-28)19(17-10-6-7-11-18(17)22)27-14-12-26(13-15-27)16-8-4-5-9-16;/h6-7,10-11,16,19H,4-5,8-9,12-15H2,1-3H3;1H
InChIKeyQAZCVPGRLLWNRN-UHFFFAOYSA-N
MW422.98 g/mol
LogP3.64
Rot. Bonds4

About 1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride

1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride (PubChem CID 6602646) has the molecular formula C21H32ClFN6 and a molecular weight of 422.98 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride
PubChem CID6602646
Molecular FormulaC21H32ClFN6
Molecular Weight422.98 g/mol
Exact Mass422.24
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride
SMILESCC(C)(C)n1nnnc1C(c1ccccc1F)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C21H31FN6.ClH/c1-21(2,3)28-20(23-24-25-28)19(17-10-6-7-11-18(17)22)27-14-12-26(13-15-27)16-8-4-5-9-16;/h6-7,10-11,16,19H,4-5,8-9,12-15H2,1-3H3;1H
InChIKeyQAZCVPGRLLWNRN-UHFFFAOYSA-N
XLogP3.64
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine
CID 1444178
1-[(S)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-methylpiperazine
CID 1444157
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclopentylpiperazine
CID 1443842
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1444040
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1443976
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1444151
2-[4-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 1444140
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 6603424
1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 1443548
1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine
CID 3208818
1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 175654254
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-prop-2-enylpiperazine
CID 1443638

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride (CID 6602646) is 1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride is CC(C)(C)n1nnnc1C(c1ccccc1F)N1CCN(C2CCCC2)CC1.Cl.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride?
The InChIKey is QAZCVPGRLLWNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN6.ClH/c1-21(2,3)28-20(23-24-25-28)19(17-10-6-7-11-18(17)22)27-14-12-26(13-15-27)16-8-4-5-9-16;/h6-7,10-11,16,19H,4-5,8-9,12-15H2,1-3H3;1H.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride?
1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride has a molecular weight of 422.98 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride is sourced from PubChem (CID 6602646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).