2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine

C13H24N6O — CID 166240846

IUPAC2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine
SMILESCn1nnnc1CN1CCCCC1C1CC(N)CCO1
InChIInChI=1S/C13H24N6O/c1-18-13(15-16-17-18)9-19-6-3-2-4-11(19)12-8-10(14)5-7-20-12/h10-12H,2-9,14H2,1H3
InChIKeyPEEOQXPPYYJZDL-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.07
Rot. Bonds3

About 2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine

2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine (PubChem CID 166240846) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine.

Molecular Properties

Compound Name2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine
PubChem CID166240846
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine
SMILESCn1nnnc1CN1CCCCC1C1CC(N)CCO1
InChIInChI=1S/C13H24N6O/c1-18-13(15-16-17-18)9-19-6-3-2-4-11(19)12-8-10(14)5-7-20-12/h10-12H,2-9,14H2,1H3
InChIKeyPEEOQXPPYYJZDL-UHFFFAOYSA-N
XLogP0.07
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine?
The IUPAC name of 2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine (CID 166240846) is 2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine.
What is the SMILES notation for 2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine?
The canonical SMILES for 2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine is Cn1nnnc1CN1CCCCC1C1CC(N)CCO1.
What is the InChIKey of 2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine?
The InChIKey is PEEOQXPPYYJZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-18-13(15-16-17-18)9-19-6-3-2-4-11(19)12-8-10(14)5-7-20-12/h10-12H,2-9,14H2,1H3.
What are the key properties of 2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine?
2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine has a molecular weight of 280.38 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methyltetrazol-5-yl)methyl]piperidin-2-yl]oxan-4-amine is sourced from PubChem (CID 166240846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).