1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)

C38H80N4 — CID 159113867

IUPAC1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C13H27N.C12H26N2/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h2*11H,7-10H2,1-6H3;7-10H2,1-6H3
InChIKeyKEVJXRHQJKPJNZ-UHFFFAOYSA-N
MW593.09 g/mol
LogP9.29
Rot. Bonds

About 1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)

1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) (PubChem CID 159113867) has the molecular formula C38H80N4 and a molecular weight of 593.09 g/mol. Its IUPAC name is 1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine).

Molecular Properties

Compound Name1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
PubChem CID159113867
Molecular FormulaC38H80N4
Molecular Weight593.09 g/mol
Exact Mass592.64
IUPAC Name1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C13H27N.C12H26N2/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h2*11H,7-10H2,1-6H3;7-10H2,1-6H3
InChIKeyKEVJXRHQJKPJNZ-UHFFFAOYSA-N
XLogP9.29
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.09
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine
CID 144929218
3,3-Difluoro-1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
CID 161578141
1-(1-Tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine
CID 172511522
1-Tert-butyl-4-[[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]methyl]-4-fluoropiperidine
CID 172511568
1,2,2,6,6-Pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine
CID 57161777
3-Tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 58101750
1-Tert-butyl-4-propan-2-yl-1-azoniabicyclo[2.2.2]octane
CID 90090304
1-[4-(4-Tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine
CID 129100136
1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine
CID 131975394
1-Methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]piperazine
CID 132111604
1-Tert-butyl-4-[5-(4-tert-butylpiperidin-1-yl)-2,5-dimethylhexan-2-yl]piperazine
CID 132137709
1-[5-(4-Tert-butylpiperidin-1-yl)-2-methylhexan-2-yl]-4-propan-2-ylpiperazine
CID 134183908

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?
The IUPAC name of 1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) (CID 159113867) is 1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine).
What is the SMILES notation for 1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?
The canonical SMILES for 1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) is CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?
The InChIKey is KEVJXRHQJKPJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H27N.C12H26N2/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h2*11H,7-10H2,1-6H3;7-10H2,1-6H3.
What are the key properties of 1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)?
1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) has a molecular weight of 593.09 g/mol, XLogP of 9.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine) is sourced from PubChem (CID 159113867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).