[4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine

C13H26N2O — CID 103440780

IUPAC[4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine
SMILESCC1CCN(C2CCCOCC2)C(CN)C1
InChIInChI=1S/C13H26N2O/c1-11-4-6-15(13(9-11)10-14)12-3-2-7-16-8-5-12/h11-13H,2-10,14H2,1H3
InChIKeyOCQARYAWRJBPIE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds2

About [4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine

[4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine (PubChem CID 103440780) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine
PubChem CID103440780
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine
SMILESCC1CCN(C2CCCOCC2)C(CN)C1
InChIInChI=1S/C13H26N2O/c1-11-4-6-15(13(9-11)10-14)12-3-2-7-16-8-5-12/h11-13H,2-10,14H2,1H3
InChIKeyOCQARYAWRJBPIE-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-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine (CID 103440780) is [4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine is CC1CCN(C2CCCOCC2)C(CN)C1.
What is the InChIKey of [4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine?
The InChIKey is OCQARYAWRJBPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-4-6-15(13(9-11)10-14)12-3-2-7-16-8-5-12/h11-13H,2-10,14H2,1H3.
What are the key properties of [4-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine?
[4-methyl-1-(oxepan-4-yl)piperidin-2-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-methyl-1-(oxepan-4-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103440780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).