[4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine

C13H26N2O — CID 62124065

IUPAC[4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine
SMILESCC1CCCN(C2(CN)CCOCC2)C1C
InChIInChI=1S/C13H26N2O/c1-11-4-3-7-15(12(11)2)13(10-14)5-8-16-9-6-13/h11-12H,3-10,14H2,1-2H3
InChIKeySCWXQIDIULWSHY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds2

About [4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine

[4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine (PubChem CID 62124065) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine
PubChem CID62124065
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine
SMILESCC1CCCN(C2(CN)CCOCC2)C1C
InChIInChI=1S/C13H26N2O/c1-11-4-3-7-15(12(11)2)13(10-14)5-8-16-9-6-13/h11-12H,3-10,14H2,1-2H3
InChIKeySCWXQIDIULWSHY-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine (CID 62124065) is [4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine is CC1CCCN(C2(CN)CCOCC2)C1C.
What is the InChIKey of [4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine?
The InChIKey is SCWXQIDIULWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-4-3-7-15(12(11)2)13(10-14)5-8-16-9-6-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of [4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine?
[4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 62124065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).