1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine

C35H75N5 — CID 158295913

IUPAC1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1
InChIInChI=1S/C9H20N2.2C9H19N.C8H17N/c1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9/h9H,4-8H2,1-3H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyGLXFULUSEAVWBO-UHFFFAOYSA-N
MW566.02 g/mol
LogP6.88
Rot. Bonds8

About 1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine

1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (PubChem CID 158295913) has the molecular formula C35H75N5 and a molecular weight of 566.02 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
PubChem CID158295913
Molecular FormulaC35H75N5
Molecular Weight566.02 g/mol
Exact Mass565.60
IUPAC Name1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1
InChIInChI=1S/C9H20N2.2C9H19N.C8H17N/c1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9/h9H,4-8H2,1-3H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyGLXFULUSEAVWBO-UHFFFAOYSA-N
XLogP6.88
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.02
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (CID 158295913) is 1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The InChIKey is GLXFULUSEAVWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.2C9H19N.C8H17N/c1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9/h9H,4-8H2,1-3H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine has a molecular weight of 566.02 g/mol, XLogP of 6.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 158295913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).