N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine

C11H19N3O — CID 63249009

IUPACN-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine
SMILESCNCC1CCN(Cc2ccno2)CC1
InChIInChI=1S/C11H19N3O/c1-12-8-10-3-6-14(7-4-10)9-11-2-5-13-15-11/h2,5,10,12H,3-4,6-9H2,1H3
InChIKeyQRSCSTCYCHBEDF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.11
Rot. Bonds4

About N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine

N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine (PubChem CID 63249009) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine
PubChem CID63249009
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine
SMILESCNCC1CCN(Cc2ccno2)CC1
InChIInChI=1S/C11H19N3O/c1-12-8-10-3-6-14(7-4-10)9-11-2-5-13-15-11/h2,5,10,12H,3-4,6-9H2,1H3
InChIKeyQRSCSTCYCHBEDF-UHFFFAOYSA-N
XLogP1.11
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine (CID 63249009) is N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine is CNCC1CCN(Cc2ccno2)CC1.
What is the InChIKey of N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine?
The InChIKey is QRSCSTCYCHBEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-12-8-10-3-6-14(7-4-10)9-11-2-5-13-15-11/h2,5,10,12H,3-4,6-9H2,1H3.
What are the key properties of N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine?
N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 63249009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).