1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C15H22BrClN6 — CID 120775540

IUPAC1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2nnnn2-c2ccccc2Br)CCC1N.Cl
InChIInChI=1S/C15H21BrN6.ClH/c1-15(2)10-21(8-7-13(15)17)9-14-18-19-20-22(14)12-6-4-3-5-11(12)16;/h3-6,13H,7-10,17H2,1-2H3;1H
InChIKeyOYIVNDBQSZMPOD-UHFFFAOYSA-N
MW401.74 g/mol
LogP2.41
Rot. Bonds3

About 1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120775540) has the molecular formula C15H22BrClN6 and a molecular weight of 401.74 g/mol. Its IUPAC name is 1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120775540
Molecular FormulaC15H22BrClN6
Molecular Weight401.74 g/mol
Exact Mass400.08
IUPAC Name1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2nnnn2-c2ccccc2Br)CCC1N.Cl
InChIInChI=1S/C15H21BrN6.ClH/c1-15(2)10-21(8-7-13(15)17)9-14-18-19-20-22(14)12-6-4-3-5-11(12)16;/h3-6,13H,7-10,17H2,1-2H3;1H
InChIKeyOYIVNDBQSZMPOD-UHFFFAOYSA-N
XLogP2.41
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120775540) is 1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(Cc2nnnn2-c2ccccc2Br)CCC1N.Cl.
What is the InChIKey of 1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is OYIVNDBQSZMPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN6.ClH/c1-15(2)10-21(8-7-13(15)17)9-14-18-19-20-22(14)12-6-4-3-5-11(12)16;/h3-6,13H,7-10,17H2,1-2H3;1H.
What are the key properties of 1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 401.74 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120775540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).