1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride

C7H16Cl2N6 — CID 75480733

IUPAC1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.Cn1nnnc1N1CCC(N)CC1
InChIInChI=1S/C7H14N6.2ClH/c1-12-7(9-10-11-12)13-4-2-6(8)3-5-13;;/h6H,2-5,8H2,1H3;2*1H
InChIKeyQBVDBMOBQRBOGE-UHFFFAOYSA-N
MW255.15 g/mol
LogP-0.02
Rot. Bonds1

About 1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride

1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride (PubChem CID 75480733) has the molecular formula C7H16Cl2N6 and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride
PubChem CID75480733
Molecular FormulaC7H16Cl2N6
Molecular Weight255.15 g/mol
Exact Mass254.08
IUPAC Name1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.Cn1nnnc1N1CCC(N)CC1
InChIInChI=1S/C7H14N6.2ClH/c1-12-7(9-10-11-12)13-4-2-6(8)3-5-13;;/h6H,2-5,8H2,1H3;2*1H
InChIKeyQBVDBMOBQRBOGE-UHFFFAOYSA-N
XLogP-0.02
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride (CID 75480733) is 1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride is Cl.Cl.Cn1nnnc1N1CCC(N)CC1.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride?
The InChIKey is QBVDBMOBQRBOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6.2ClH/c1-12-7(9-10-11-12)13-4-2-6(8)3-5-13;;/h6H,2-5,8H2,1H3;2*1H.
What are the key properties of 1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride?
1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride has a molecular weight of 255.15 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 75480733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).