1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C17H23F3N6 — CID 1443786

IUPAC1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCC(C)(C)n1nnnc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H23F3N6/c1-16(2,3)26-15(21-22-23-26)12-24-7-9-25(10-8-24)14-6-4-5-13(11-14)17(18,19)20/h4-6,11H,7-10,12H2,1-3H3
InChIKeyGBRPORDYIVGGAJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.77
Rot. Bonds3

About 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 1443786) has the molecular formula C17H23F3N6 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID1443786
Molecular FormulaC17H23F3N6
Molecular Weight368.41 g/mol
Exact Mass368.19
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCC(C)(C)n1nnnc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H23F3N6/c1-16(2,3)26-15(21-22-23-26)12-24-7-9-25(10-8-24)14-6-4-5-13(11-14)17(18,19)20/h4-6,11H,7-10,12H2,1-3H3
InChIKeyGBRPORDYIVGGAJ-UHFFFAOYSA-N
XLogP2.77
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.77
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
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 646624
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
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
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-(2-fluoro-phenyl)-piperazine
CID 6602593
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-butyl]-4-(2-fluoro-phenyl)-piperazine
CID 6603068
1-(1-Phenethyl-1H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydro-quinoline
CID 6603629

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 1443786) is 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is CC(C)(C)n1nnnc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is GBRPORDYIVGGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6/c1-16(2,3)26-15(21-22-23-26)12-24-7-9-25(10-8-24)14-6-4-5-13(11-14)17(18,19)20/h4-6,11H,7-10,12H2,1-3H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(1-tert-butyltetrazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 368.41 g/mol, XLogP of 2.77, 3 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)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 1443786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).