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

C10H21N3O2 — CID 83021019

IUPACN-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NCC2CCOCO2)CC1
InChIInChI=1S/C10H21N3O2/c1-12-3-5-13(6-4-12)11-8-10-2-7-14-9-15-10/h10-11H,2-9H2,1H3
InChIKeyDPXBLNQWWIVOSR-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.50
Rot. Bonds3

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

N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine (PubChem CID 83021019) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine
PubChem CID83021019
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NCC2CCOCO2)CC1
InChIInChI=1S/C10H21N3O2/c1-12-3-5-13(6-4-12)11-8-10-2-7-14-9-15-10/h10-11H,2-9H2,1H3
InChIKeyDPXBLNQWWIVOSR-UHFFFAOYSA-N
XLogP-0.50
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-Dioxan-4-ylmethyl)piperazine
CID 43348694
N-(1,3-dioxan-4-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 55169825
N-(1,3-dioxan-4-ylmethyl)piperidin-1-amine
CID 83014162
2-(1,3-Dioxan-4-ylmethyl)-1,1-dimethylhydrazine
CID 83015082
N-(1,3-dioxan-4-ylmethyl)morpholin-4-amine
CID 83021480
N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine
CID 106658959

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine (CID 83021019) is N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine is CN1CCN(NCC2CCOCO2)CC1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine?
The InChIKey is DPXBLNQWWIVOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-12-3-5-13(6-4-12)11-8-10-2-7-14-9-15-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine?
N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine has a molecular weight of 215.30 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83021019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).