3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine

C15H22N6 — CID 120775351

IUPAC3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2nnnn2-c2ccccc2)CCC1N
InChIInChI=1S/C15H22N6/c1-15(2)11-20(9-8-13(15)16)10-14-17-18-19-21(14)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3
InChIKeyQUSHLIFHEMOEPC-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.22
Rot. Bonds3

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

3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine (PubChem CID 120775351) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine
PubChem CID120775351
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2nnnn2-c2ccccc2)CCC1N
InChIInChI=1S/C15H22N6/c1-15(2)11-20(9-8-13(15)16)10-14-17-18-19-21(14)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3
InChIKeyQUSHLIFHEMOEPC-UHFFFAOYSA-N
XLogP1.22
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-4-amine
CID 120776522
3,3-dimethyl-1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120775209
1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775540
1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120774569
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410432
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
(3S,4R)-4-phenyl-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120761550
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 120774254
ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine (CID 120775351) is 3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine is CC1(C)CN(Cc2nnnn2-c2ccccc2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is QUSHLIFHEMOEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-15(2)11-20(9-8-13(15)16)10-14-17-18-19-21(14)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine?
3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 1.22, 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-phenyltetrazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 120775351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).