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

C21H31FN6 — CID 1444178

IUPAC1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine
SMILESCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H31FN6/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/t19-/m1/s1
InChIKeyZICBVKSKPAVMFM-LJQANCHMSA-N
MW386.52 g/mol
LogP3.22
Rot. Bonds4

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

1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine (PubChem CID 1444178) has the molecular formula C21H31FN6 and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine
PubChem CID1444178
Molecular FormulaC21H31FN6
Molecular Weight386.52 g/mol
Exact Mass386.26
IUPAC Name1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine
SMILESCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H31FN6/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/t19-/m1/s1
InChIKeyZICBVKSKPAVMFM-LJQANCHMSA-N
XLogP3.22
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine;hydrochloride
CID 6602646
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-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-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-prop-2-enylpiperazine
CID 1443638
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 6603424
1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208909

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine (CID 1444178) is 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine is CC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine?
The InChIKey is ZICBVKSKPAVMFM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31FN6/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/t19-/m1/s1.
What are the key properties of 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine?
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine has a molecular weight of 386.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 1444178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).