4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine

C24H43N3O — CID 159157952

IUPAC4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCNC=C1.CC1=CCNCC1.CC1=CCOCC1.CC1CCNCC1
InChIInChI=1S/C6H13N.C6H11N.C6H9N.C6H10O/c4*1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3;2,7H,3-5H2,1H3;2-4,7H,5H2,1H3;2H,3-5H2,1H3
InChIKeyKKCZWZSERUMQCD-UHFFFAOYSA-N
MW389.63 g/mol
LogP4.33
Rot. Bonds

About 4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine

4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 159157952) has the molecular formula C24H43N3O and a molecular weight of 389.63 g/mol. Its IUPAC name is 4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine
PubChem CID159157952
Molecular FormulaC24H43N3O
Molecular Weight389.63 g/mol
Exact Mass389.34
IUPAC Name4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCNC=C1.CC1=CCNCC1.CC1=CCOCC1.CC1CCNCC1
InChIInChI=1S/C6H13N.C6H11N.C6H9N.C6H10O/c4*1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3;2,7H,3-5H2,1H3;2-4,7H,5H2,1H3;2H,3-5H2,1H3
InChIKeyKKCZWZSERUMQCD-UHFFFAOYSA-N
XLogP4.33
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.63
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine (CID 159157952) is 4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine is CC1=CCNC=C1.CC1=CCNCC1.CC1=CCOCC1.CC1CCNCC1.
What is the InChIKey of 4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is KKCZWZSERUMQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H11N.C6H9N.C6H10O/c4*1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3;2,7H,3-5H2,1H3;2-4,7H,5H2,1H3;2H,3-5H2,1H3.
What are the key properties of 4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine?
4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 389.63 g/mol, XLogP of 4.33, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,6-dihydro-2H-pyran;4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 159157952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).