1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine

C33H67N3 — CID 159516276

IUPAC1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N.C11H21N.C11H23N/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-11H,5-8H2,1-4H3
InChIKeyMBFTZMXVKPHUEK-UHFFFAOYSA-N
MW505.92 g/mol
LogP8.21
Rot. Bonds6

About 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine

1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine (PubChem CID 159516276) has the molecular formula C33H67N3 and a molecular weight of 505.92 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine
PubChem CID159516276
Molecular FormulaC33H67N3
Molecular Weight505.92 g/mol
Exact Mass505.53
IUPAC Name1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N.C11H21N.C11H23N/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-11H,5-8H2,1-4H3
InChIKeyMBFTZMXVKPHUEK-UHFFFAOYSA-N
XLogP8.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.92
LogP ≤ 58.21
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 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine?
The IUPAC name of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine (CID 159516276) is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine?
The canonical SMILES for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine is CC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine?
The InChIKey is MBFTZMXVKPHUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C11H21N.C11H23N/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-11H,5-8H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine?
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine has a molecular weight of 505.92 g/mol, XLogP of 8.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 159516276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).