1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine

C21H44N4 — CID 90873610

IUPAC1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine
SMILESCN1CCC(CCCC2CCN(C)CC2)CC1.CN1CCN(C)CC1
InChIInChI=1S/C15H30N2.C6H14N2/c1-16-10-6-14(7-11-16)4-3-5-15-8-12-17(2)13-9-15;1-7-3-5-8(2)6-4-7/h14-15H,3-13H2,1-2H3;3-6H2,1-2H3
InChIKeyXVBWZBANWDKKAU-UHFFFAOYSA-N
MW352.61 g/mol
LogP2.70
Rot. Bonds4

About 1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine

1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine (PubChem CID 90873610) has the molecular formula C21H44N4 and a molecular weight of 352.61 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine
PubChem CID90873610
Molecular FormulaC21H44N4
Molecular Weight352.61 g/mol
Exact Mass352.36
IUPAC Name1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine
SMILESCN1CCC(CCCC2CCN(C)CC2)CC1.CN1CCN(C)CC1
InChIInChI=1S/C15H30N2.C6H14N2/c1-16-10-6-14(7-11-16)4-3-5-15-8-12-17(2)13-9-15;1-7-3-5-8(2)6-4-7/h14-15H,3-13H2,1-2H3;3-6H2,1-2H3
InChIKeyXVBWZBANWDKKAU-UHFFFAOYSA-N
XLogP2.70
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.61
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine?
The IUPAC name of 1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine (CID 90873610) is 1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine.
What is the SMILES notation for 1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine?
The canonical SMILES for 1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine is CN1CCC(CCCC2CCN(C)CC2)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine?
The InChIKey is XVBWZBANWDKKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C6H14N2/c1-16-10-6-14(7-11-16)4-3-5-15-8-12-17(2)13-9-15;1-7-3-5-8(2)6-4-7/h14-15H,3-13H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine?
1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine has a molecular weight of 352.61 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine is sourced from PubChem (CID 90873610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).