1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine)

C27H58N4 — CID 157350283

IUPAC1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine)
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.2C9H19N/c1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)10-7-5-4-6-8-10/h5-8H2,1-4H3;2*4-8H2,1-3H3
InChIKeyBHLGXEQTGRNQAC-UHFFFAOYSA-N
MW438.79 g/mol
LogP5.57
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine)

1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine) (PubChem CID 157350283) has the molecular formula C27H58N4 and a molecular weight of 438.79 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine).

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine)
PubChem CID157350283
Molecular FormulaC27H58N4
Molecular Weight438.79 g/mol
Exact Mass438.47
IUPAC Name1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine)
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.2C9H19N/c1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)10-7-5-4-6-8-10/h5-8H2,1-4H3;2*4-8H2,1-3H3
InChIKeyBHLGXEQTGRNQAC-UHFFFAOYSA-N
XLogP5.57
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.79
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine)?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine) (CID 157350283) is 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine).
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine)?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine) is CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine)?
The InChIKey is BHLGXEQTGRNQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.2C9H19N/c1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)10-7-5-4-6-8-10/h5-8H2,1-4H3;2*4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine)?
1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine) has a molecular weight of 438.79 g/mol, XLogP of 5.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine) is sourced from PubChem (CID 157350283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).