3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine

C13H26N2O — CID 103060887

IUPAC3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine
SMILESCC1CCN(CC2COCCC2N)CC1C
InChIInChI=1S/C13H26N2O/c1-10-3-5-15(7-11(10)2)8-12-9-16-6-4-13(12)14/h10-13H,3-9,14H2,1-2H3
InChIKeyXTUCSZKKHQDQPO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.33
Rot. Bonds2

About 3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine

3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine (PubChem CID 103060887) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine
PubChem CID103060887
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine
SMILESCC1CCN(CC2COCCC2N)CC1C
InChIInChI=1S/C13H26N2O/c1-10-3-5-15(7-11(10)2)8-12-9-16-6-4-13(12)14/h10-13H,3-9,14H2,1-2H3
InChIKeyXTUCSZKKHQDQPO-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]oxan-4-amine
CID 103060817
[1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103061041
3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103059949
3-methyl-1-(oxolan-3-ylmethyl)piperidin-4-ol
CID 114502613
3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine
CID 103058461
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]oxan-4-amine
CID 103059609
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine
CID 79171064
4-[(4-methylazepan-1-yl)methyl]oxolan-3-amine
CID 66235516
N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058323
2-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62615480
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 103061639
4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
CID 103898114

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine?
The IUPAC name of 3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine (CID 103060887) is 3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for 3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for 3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine is CC1CCN(CC2COCCC2N)CC1C.
What is the InChIKey of 3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine?
The InChIKey is XTUCSZKKHQDQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-3-5-15(7-11(10)2)8-12-9-16-6-4-13(12)14/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine?
3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylpiperidin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103060887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).