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

C35H78N4 — CID 159919497

IUPAC1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
SMILESC.C.C.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N.C11H21N.C10H22N2.3CH4/c3*1-9(2)11-5-7-12(8-6-11)10(3)4;;;/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-10H,5-8H2,1-4H3;3*1H4
InChIKeyNYFFETKKKTVDBM-UHFFFAOYSA-N
MW555.04 g/mol
LogP8.77
Rot. Bonds6

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

1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane (PubChem CID 159919497) has the molecular formula C35H78N4 and a molecular weight of 555.04 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
PubChem CID159919497
Molecular FormulaC35H78N4
Molecular Weight555.04 g/mol
Exact Mass554.62
IUPAC Name1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
SMILESC.C.C.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N.C11H21N.C10H22N2.3CH4/c3*1-9(2)11-5-7-12(8-6-11)10(3)4;;;/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-10H,5-8H2,1-4H3;3*1H4
InChIKeyNYFFETKKKTVDBM-UHFFFAOYSA-N
XLogP8.77
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.04
LogP ≤ 58.77
H-Bond Donors ≤ 50
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 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane?
The IUPAC name of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane (CID 159919497) is 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane.
What is the SMILES notation for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane?
The canonical SMILES for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane is C.C.C.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane?
The InChIKey is NYFFETKKKTVDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C11H21N.C10H22N2.3CH4/c3*1-9(2)11-5-7-12(8-6-11)10(3)4;;;/h9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-10H,5-8H2,1-4H3;3*1H4.
What are the key properties of 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane?
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane has a molecular weight of 555.04 g/mol, XLogP of 8.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane is sourced from PubChem (CID 159919497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).