1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine

C17H35N3 — CID 159296237

IUPAC1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)C1=CCN(C)CC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C9H17N.C8H18N2/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10/h4,8H,5-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyLATJHIVJXVYPML-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.55
Rot. Bonds2

About 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine

1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine (PubChem CID 159296237) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine
PubChem CID159296237
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)C1=CCN(C)CC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C9H17N.C8H18N2/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10/h4,8H,5-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyLATJHIVJXVYPML-UHFFFAOYSA-N
XLogP2.55
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine (CID 159296237) is 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine is CC(C)C1=CCN(C)CC1.CC(C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine?
The InChIKey is LATJHIVJXVYPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H18N2/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10/h4,8H,5-7H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine?
1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine has a molecular weight of 281.49 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 159296237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).