1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one

C40H84N6O — CID 158191861

IUPAC1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C9H19N.C8H18N2.2C8H17N.C7H13NO/c2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-3-4-7(8)9/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyFZVXNRCHMPBORV-UHFFFAOYSA-N
MW665.15 g/mol
LogP7.55
Rot. Bonds5

About 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one

1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one (PubChem CID 158191861) has the molecular formula C40H84N6O and a molecular weight of 665.15 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one
PubChem CID158191861
Molecular FormulaC40H84N6O
Molecular Weight665.15 g/mol
Exact Mass664.67
IUPAC Name1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C9H19N.C8H18N2.2C8H17N.C7H13NO/c2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-3-4-7(8)9/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyFZVXNRCHMPBORV-UHFFFAOYSA-N
XLogP7.55
TPSA36.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.15
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(1-Butylpiperidin-4-yl)-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 21135909
2-[4-(4-Methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58826296
(4-Tert-butylpiperazin-1-yl)-[1-[5-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazin-1-yl]-2,2,5-trimethylhexyl]piperidin-4-yl]methanone
CID 134582769
Ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone
CID 156836762
Ethane;(4-methylpiperazin-1-yl)-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]methanone
CID 156836914
4-Methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 158127620
Methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 158211986
1-Ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine
CID 158893731
1-Ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 159381634
4-Methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 159964638
1-Methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 160291753
3-Methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 160332843

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one (CID 158191861) is 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC1CCN(C(C)C)CC1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one?
The InChIKey is FZVXNRCHMPBORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H18N2.2C8H17N.C7H13NO/c2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-3-4-7(8)9/h8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one?
1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one has a molecular weight of 665.15 g/mol, XLogP of 7.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 158191861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).