2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine

C15H27N3O — CID 45168911

IUPAC2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCC(C)CCCC1CN(Cc2cnn(C)c2)CCO1
InChIInChI=1S/C15H27N3O/c1-13(2)5-4-6-15-12-18(7-8-19-15)11-14-9-16-17(3)10-14/h9-10,13,15H,4-8,11-12H2,1-3H3
InChIKeyIGDPFOPIUSHPHX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.45
Rot. Bonds6

About 2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine

2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine (PubChem CID 45168911) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine
PubChem CID45168911
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCC(C)CCCC1CN(Cc2cnn(C)c2)CCO1
InChIInChI=1S/C15H27N3O/c1-13(2)5-4-6-15-12-18(7-8-19-15)11-14-9-16-17(3)10-14/h9-10,13,15H,4-8,11-12H2,1-3H3
InChIKeyIGDPFOPIUSHPHX-UHFFFAOYSA-N
XLogP2.45
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of 2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine (CID 45168911) is 2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine is CC(C)CCCC1CN(Cc2cnn(C)c2)CCO1.
What is the InChIKey of 2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The InChIKey is IGDPFOPIUSHPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(2)5-4-6-15-12-18(7-8-19-15)11-14-9-16-17(3)10-14/h9-10,13,15H,4-8,11-12H2,1-3H3.
What are the key properties of 2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine has a molecular weight of 265.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)-4-[(1-methylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 45168911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).