butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane

C27H61N3 — CID 168928365

IUPACbutane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
SMILESCC.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CCCC
InChIInChI=1S/C11H23N.C10H22N2.C4H10.C2H6/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-3-4-2;1-2/h9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;3-4H2,1-2H3;1-2H3
InChIKeyUXYUEHJMNHEQLA-UHFFFAOYSA-N
MW427.81 g/mol
LogP7.02
Rot. Bonds5

About butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane

butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane (PubChem CID 168928365) has the molecular formula C27H61N3 and a molecular weight of 427.81 g/mol. Its IUPAC name is butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane.

Molecular Properties

Compound Namebutane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
PubChem CID168928365
Molecular FormulaC27H61N3
Molecular Weight427.81 g/mol
Exact Mass427.49
IUPAC Namebutane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
SMILESCC.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CCCC
InChIInChI=1S/C11H23N.C10H22N2.C4H10.C2H6/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-3-4-2;1-2/h9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;3-4H2,1-2H3;1-2H3
InChIKeyUXYUEHJMNHEQLA-UHFFFAOYSA-N
XLogP7.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.81
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-di(propan-2-yl)piperidine
CID 21303253
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);methane
CID 159687749
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
CID 117238997
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
CID 159832079
ethane;propan-2-ylcyclohexane;1-propan-2-ylpiperidine
CID 159094239
1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane
CID 162072705
4-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 126675083
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
methane;1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 158419714

Frequently Asked Questions

What is the IUPAC name of butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane?
The IUPAC name of butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane (CID 168928365) is butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane.
What is the SMILES notation for butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane?
The canonical SMILES for butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane is CC.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CCCC.
What is the InChIKey of butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane?
The InChIKey is UXYUEHJMNHEQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H22N2.C4H10.C2H6/c2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-3-4-2;1-2/h9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane?
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane has a molecular weight of 427.81 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane is sourced from PubChem (CID 168928365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).