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

C36H79N5 — CID 158187720

IUPAC1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
SMILESC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.2C9H19N.C8H17N.CH4/c1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;/h5-8H2,1-4H3;2*4-8H2,1-3H3;4-7H2,1-3H3;1H4
InChIKeyFZIRXZVMMDPXCA-UHFFFAOYSA-N
MW582.06 g/mol
LogP8.09
Rot. Bonds

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

1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane (PubChem CID 158187720) has the molecular formula C36H79N5 and a molecular weight of 582.06 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
PubChem CID158187720
Molecular FormulaC36H79N5
Molecular Weight582.06 g/mol
Exact Mass581.63
IUPAC Name1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
SMILESC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.2C9H19N.C8H17N.CH4/c1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;/h5-8H2,1-4H3;2*4-8H2,1-3H3;4-7H2,1-3H3;1H4
InChIKeyFZIRXZVMMDPXCA-UHFFFAOYSA-N
XLogP8.09
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.06
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Tert-butyl-2,2-difluoropiperidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine
CID 159002450
1-Tert-butyl-4-hexyl-1,4-diazoniabicyclo[2.2.2]octane
CID 118067030
1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine
CID 123473478
1-Methyl-4-[1-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperidin-4-yl]piperazine
CID 129212775
1-Methyl-4-[2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propan-2-yl]piperazine
CID 130208256
1-Tert-butyl-4-[[1-[5-[4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-4-yl]methyl]piperazine
CID 138656878
Methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 157119616
1-Tert-butylazepane;tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;ethane;methane
CID 157194330
1-Tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine)
CID 157350283
1-Methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 157374634
Bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine
CID 157439064
1,4-Dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157461988

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane (CID 158187720) is 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane is C.CC(C)(C)N1CCCC1.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);1-tert-butylpyrrolidine;methane?
The InChIKey is FZIRXZVMMDPXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.2C9H19N.C8H17N.CH4/c1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;/h5-8H2,1-4H3;2*4-8H2,1-3H3;4-7H2,1-3H3;1H4.
What are the key properties of 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane?
1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane has a molecular weight of 582.06 g/mol, XLogP of 8.09, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane is sourced from PubChem (CID 158187720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).