1-methylpiperazine;2H-pyran-4-amine

C10H19N3O — CID 68550599

IUPAC1-methylpiperazine;2H-pyran-4-amine
SMILESCN1CCNCC1.NC1=CCOC=C1
InChIInChI=1S/C5H12N2.C5H7NO/c1-7-4-2-6-3-5-7;6-5-1-3-7-4-2-5/h6H,2-5H2,1H3;1-3H,4,6H2
InChIKeyPMGBSGZHSXNAGQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.11
Rot. Bonds

About 1-methylpiperazine;2H-pyran-4-amine

1-methylpiperazine;2H-pyran-4-amine (PubChem CID 68550599) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-methylpiperazine;2H-pyran-4-amine.

Molecular Properties

Compound Name1-methylpiperazine;2H-pyran-4-amine
PubChem CID68550599
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-methylpiperazine;2H-pyran-4-amine
SMILESCN1CCNCC1.NC1=CCOC=C1
InChIInChI=1S/C5H12N2.C5H7NO/c1-7-4-2-6-3-5-7;6-5-1-3-7-4-2-5/h6H,2-5H2,1H3;1-3H,4,6H2
InChIKeyPMGBSGZHSXNAGQ-UHFFFAOYSA-N
XLogP-0.11
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;2H-pyran-4-amine?
The IUPAC name of 1-methylpiperazine;2H-pyran-4-amine (CID 68550599) is 1-methylpiperazine;2H-pyran-4-amine.
What is the SMILES notation for 1-methylpiperazine;2H-pyran-4-amine?
The canonical SMILES for 1-methylpiperazine;2H-pyran-4-amine is CN1CCNCC1.NC1=CCOC=C1.
What is the InChIKey of 1-methylpiperazine;2H-pyran-4-amine?
The InChIKey is PMGBSGZHSXNAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C5H7NO/c1-7-4-2-6-3-5-7;6-5-1-3-7-4-2-5/h6H,2-5H2,1H3;1-3H,4,6H2.
What are the key properties of 1-methylpiperazine;2H-pyran-4-amine?
1-methylpiperazine;2H-pyran-4-amine has a molecular weight of 197.28 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;2H-pyran-4-amine is sourced from PubChem (CID 68550599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).