1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine

C10H20N2O2 — CID 61295949

IUPAC1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine
SMILESNC1CCCN(CC2CCOCO2)C1
InChIInChI=1S/C10H20N2O2/c11-9-2-1-4-12(6-9)7-10-3-5-13-8-14-10/h9-10H,1-8,11H2
InChIKeyUUEWDOWRNVYBTL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.17
Rot. Bonds2

About 1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine

1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine (PubChem CID 61295949) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine
PubChem CID61295949
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine
SMILESNC1CCCN(CC2CCOCO2)C1
InChIInChI=1S/C10H20N2O2/c11-9-2-1-4-12(6-9)7-10-3-5-13-8-14-10/h9-10H,1-8,11H2
InChIKeyUUEWDOWRNVYBTL-UHFFFAOYSA-N
XLogP0.17
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine?
The IUPAC name of 1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine (CID 61295949) is 1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine?
The canonical SMILES for 1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine is NC1CCCN(CC2CCOCO2)C1.
What is the InChIKey of 1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine?
The InChIKey is UUEWDOWRNVYBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-9-2-1-4-12(6-9)7-10-3-5-13-8-14-10/h9-10H,1-8,11H2.
What are the key properties of 1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine?
1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine has a molecular weight of 200.28 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 61295949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).