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

C10H20N2O2 — CID 83014162

IUPACN-(1,3-dioxan-4-ylmethyl)piperidin-1-amine
SMILESC1CCN(NCC2CCOCO2)CC1
InChIInChI=1S/C10H20N2O2/c1-2-5-12(6-3-1)11-8-10-4-7-13-9-14-10/h10-11H,1-9H2
InChIKeyGLUFOLTZPWCIGA-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.74
Rot. Bonds3

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

N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine (PubChem CID 83014162) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)piperidin-1-amine
PubChem CID83014162
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(1,3-dioxan-4-ylmethyl)piperidin-1-amine
SMILESC1CCN(NCC2CCOCO2)CC1
InChIInChI=1S/C10H20N2O2/c1-2-5-12(6-3-1)11-8-10-4-7-13-9-14-10/h10-11H,1-9H2
InChIKeyGLUFOLTZPWCIGA-UHFFFAOYSA-N
XLogP0.74
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine (CID 83014162) is N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine is C1CCN(NCC2CCOCO2)CC1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine?
The InChIKey is GLUFOLTZPWCIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-5-12(6-3-1)11-8-10-4-7-13-9-14-10/h10-11H,1-9H2.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine?
N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine has a molecular weight of 200.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine is sourced from PubChem (CID 83014162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).