2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine

C13H28N2O — CID 63971703

IUPAC2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine
SMILESCCCCC(CN)N1CCC(COC)CC1
InChIInChI=1S/C13H28N2O/c1-3-4-5-13(10-14)15-8-6-12(7-9-15)11-16-2/h12-13H,3-11,14H2,1-2H3
InChIKeyJAMDXRLYQGSUEZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds7

About 2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine

2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine (PubChem CID 63971703) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine
PubChem CID63971703
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine
SMILESCCCCC(CN)N1CCC(COC)CC1
InChIInChI=1S/C13H28N2O/c1-3-4-5-13(10-14)15-8-6-12(7-9-15)11-16-2/h12-13H,3-11,14H2,1-2H3
InChIKeyJAMDXRLYQGSUEZ-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine?
The IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine (CID 63971703) is 2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine?
The canonical SMILES for 2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine is CCCCC(CN)N1CCC(COC)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine?
The InChIKey is JAMDXRLYQGSUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-4-5-13(10-14)15-8-6-12(7-9-15)11-16-2/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine?
2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine is sourced from PubChem (CID 63971703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).