4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile

C14H14F3N7 — CID 166301502

IUPAC4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N2CCC(n3nnnc3N)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N7/c15-14(16,17)11-7-9(8-18)1-2-12(11)23-5-3-10(4-6-23)24-13(19)20-21-22-24/h1-2,7,10H,3-6H2,(H2,19,20,22)
InChIKeyBIBIFHREIYBKON-UHFFFAOYSA-N
MW337.31 g/mol
LogP1.99
Rot. Bonds2

About 4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile

4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile (PubChem CID 166301502) has the molecular formula C14H14F3N7 and a molecular weight of 337.31 g/mol. Its IUPAC name is 4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile
PubChem CID166301502
Molecular FormulaC14H14F3N7
Molecular Weight337.31 g/mol
Exact Mass337.13
IUPAC Name4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N2CCC(n3nnnc3N)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N7/c15-14(16,17)11-7-9(8-18)1-2-12(11)23-5-3-10(4-6-23)24-13(19)20-21-22-24/h1-2,7,10H,3-6H2,(H2,19,20,22)
InChIKeyBIBIFHREIYBKON-UHFFFAOYSA-N
XLogP1.99
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133448637
(3R)-1-[4-cyano-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 96506055
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133317776
N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 71862458
3-[4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)benzonitrile
CID 133381276
4-(3,3-difluoropyrrolidin-1-yl)-3-(trifluoromethyl)benzonitrile
CID 139600931
4-[4-(3-hydroxypropyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133328092
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133328094
N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide
CID 133354616
4-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 97318501
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile
CID 133327751
2-amino-6-[4-cyano-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 133331121

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile (CID 166301502) is 4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(N2CCC(n3nnnc3N)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile?
The InChIKey is BIBIFHREIYBKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7/c15-14(16,17)11-7-9(8-18)1-2-12(11)23-5-3-10(4-6-23)24-13(19)20-21-22-24/h1-2,7,10H,3-6H2,(H2,19,20,22).
What are the key properties of 4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile?
4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile has a molecular weight of 337.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 166301502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).