[6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine

C13H26N2O — CID 62387329

IUPAC[6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1CC1CCOCC1
InChIInChI=1S/C13H26N2O/c1-11-2-3-13(8-14)10-15(11)9-12-4-6-16-7-5-12/h11-13H,2-10,14H2,1H3
InChIKeyFOCBECLADCKFDF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds3

About [6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine

[6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine (PubChem CID 62387329) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine
PubChem CID62387329
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1CC1CCOCC1
InChIInChI=1S/C13H26N2O/c1-11-2-3-13(8-14)10-15(11)9-12-4-6-16-7-5-12/h11-13H,2-10,14H2,1H3
InChIKeyFOCBECLADCKFDF-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine?
The IUPAC name of [6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine (CID 62387329) is [6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine?
The canonical SMILES for [6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine is CC1CCC(CN)CN1CC1CCOCC1.
What is the InChIKey of [6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine?
The InChIKey is FOCBECLADCKFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-2-3-13(8-14)10-15(11)9-12-4-6-16-7-5-12/h11-13H,2-10,14H2,1H3.
What are the key properties of [6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine?
[6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 62387329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).