N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine

C11H22N2O2 — CID 80555087

IUPACN-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine
SMILESC1CNCC(CNCC2COCCO2)C1
InChIInChI=1S/C11H22N2O2/c1-2-10(6-12-3-1)7-13-8-11-9-14-4-5-15-11/h10-13H,1-9H2
InChIKeyIZNKSAURSBADKL-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.01
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine

N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine (PubChem CID 80555087) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine
PubChem CID80555087
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine
SMILESC1CNCC(CNCC2COCCO2)C1
InChIInChI=1S/C11H22N2O2/c1-2-10(6-12-3-1)7-13-8-11-9-14-4-5-15-11/h10-13H,1-9H2
InChIKeyIZNKSAURSBADKL-UHFFFAOYSA-N
XLogP-0.01
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006474
N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006355
N-(piperidin-3-ylmethyl)oxan-3-amine
CID 80555107
N-(morpholin-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 115237678
N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 61271600
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 93449844
N-(2-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide
CID 62799919
N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61363896
N-(oxolan-3-yl)-2-piperidin-3-ylacetamide
CID 80713340
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
3-(oxolan-3-ylmethyl)piperidine
CID 63563820

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine (CID 80555087) is N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine is C1CNCC(CNCC2COCCO2)C1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine?
The InChIKey is IZNKSAURSBADKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-10(6-12-3-1)7-13-8-11-9-14-4-5-15-11/h10-13H,1-9H2.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine?
N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine has a molecular weight of 214.31 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 80555087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).