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

C22H26F2N6 — CID 3208909

IUPAC1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine
SMILESCC(C)(C)n1nnnc1C(c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H26F2N6/c1-22(2,3)30-21(25-26-27-30)20(16-8-10-17(23)11-9-16)29-14-12-28(13-15-29)19-7-5-4-6-18(19)24/h4-11,20H,12-15H2,1-3H3
InChIKeyTYIMIOODPHSZJB-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.62
Rot. Bonds4

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

1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine (PubChem CID 3208909) has the molecular formula C22H26F2N6 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine
PubChem CID3208909
Molecular FormulaC22H26F2N6
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine
SMILESCC(C)(C)n1nnnc1C(c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H26F2N6/c1-22(2,3)30-21(25-26-27-30)20(16-8-10-17(23)11-9-16)29-14-12-28(13-15-29)19-7-5-4-6-18(19)24/h4-11,20H,12-15H2,1-3H3
InChIKeyTYIMIOODPHSZJB-UHFFFAOYSA-N
XLogP3.62
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(R)-(1-tert-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 1443953
1-[(1-tert-butyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208981
1-[(R)-(1-tert-butyltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 1444122
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443850
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 857913
4-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]thiomorpholine
CID 3193511
4-[(1-tert-butyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
CID 3208928
1-[(R)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443802
1-[(1-tert-butyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3208953
3-[(1-tert-butyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 3150023
1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
CID 7388644
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1444151

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine (CID 3208909) is 1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine is CC(C)(C)n1nnnc1C(c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is TYIMIOODPHSZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N6/c1-22(2,3)30-21(25-26-27-30)20(16-8-10-17(23)11-9-16)29-14-12-28(13-15-29)19-7-5-4-6-18(19)24/h4-11,20H,12-15H2,1-3H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine?
1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 412.49 g/mol, XLogP of 3.62, 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)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 3208909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).