3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine

C16H21F3N6 — CID 120776522

IUPAC3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CCC1N
InChIInChI=1S/C16H21F3N6/c1-15(2)10-24(8-7-13(15)20)9-14-21-22-23-25(14)12-5-3-11(4-6-12)16(17,18)19/h3-6,13H,7-10,20H2,1-2H3
InChIKeyCMEVJAJXSDQEQJ-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.24
Rot. Bonds3

About 3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine

3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine (PubChem CID 120776522) has the molecular formula C16H21F3N6 and a molecular weight of 354.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine
PubChem CID120776522
Molecular FormulaC16H21F3N6
Molecular Weight354.38 g/mol
Exact Mass354.18
IUPAC Name3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CCC1N
InChIInChI=1S/C16H21F3N6/c1-15(2)10-24(8-7-13(15)20)9-14-21-22-23-25(14)12-5-3-11(4-6-12)16(17,18)19/h3-6,13H,7-10,20H2,1-2H3
InChIKeyCMEVJAJXSDQEQJ-UHFFFAOYSA-N
XLogP2.24
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine
CID 120775351
3,3-dimethyl-1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120775209
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]tetrazole
CID 56599941
1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775540
1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903894
(3R)-3-methylsulfanyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]azepane
CID 97001223
cyclopropyl-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55856055
1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120774569
N,2-dimethyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexan-1-amine
CID 112844003
3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine
CID 120782241
1-cyclopropyl-N-methyl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 87021459
1-ethyl-4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-2-one
CID 123925176

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine (CID 120776522) is 3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine is CC1(C)CN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine?
The InChIKey is CMEVJAJXSDQEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6/c1-15(2)10-24(8-7-13(15)20)9-14-21-22-23-25(14)12-5-3-11(4-6-12)16(17,18)19/h3-6,13H,7-10,20H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine?
3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine has a molecular weight of 354.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 120776522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).