N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine

C15H26N4O — CID 107395302

IUPACN-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C15H26N4O/c1-4-7-16-9-13-10-17-11-14(18-13)19-8-5-6-15(2,12-19)20-3/h10-11,16H,4-9,12H2,1-3H3
InChIKeyFXEMEGHNQWMNFF-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.98
Rot. Bonds6

About N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine

N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107395302) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107395302
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C15H26N4O/c1-4-7-16-9-13-10-17-11-14(18-13)19-8-5-6-15(2,12-19)20-3/h10-11,16H,4-9,12H2,1-3H3
InChIKeyFXEMEGHNQWMNFF-UHFFFAOYSA-N
XLogP1.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine (CID 107395302) is N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cncc(N2CCCC(C)(OC)C2)n1.
What is the InChIKey of N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is FXEMEGHNQWMNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-7-16-9-13-10-17-11-14(18-13)19-8-5-6-15(2,12-19)20-3/h10-11,16H,4-9,12H2,1-3H3.
What are the key properties of N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107395302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).