1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine

C17H35N5 — CID 123649992

IUPAC1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine
SMILESCN1CCN(C2CCN(C)C(C3CN(C)CCN3C)C2)CC1
InChIInChI=1S/C17H35N5/c1-18-8-11-22(12-9-18)15-5-6-20(3)16(13-15)17-14-19(2)7-10-21(17)4/h15-17H,5-14H2,1-4H3
InChIKeyDZBMDGSFSITWNX-UHFFFAOYSA-N
MW309.50 g/mol
LogP-0.06
Rot. Bonds2

About 1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine

1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine (PubChem CID 123649992) has the molecular formula C17H35N5 and a molecular weight of 309.50 g/mol. Its IUPAC name is 1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine.

Molecular Properties

Compound Name1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine
PubChem CID123649992
Molecular FormulaC17H35N5
Molecular Weight309.50 g/mol
Exact Mass309.29
IUPAC Name1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine
SMILESCN1CCN(C2CCN(C)C(C3CN(C)CCN3C)C2)CC1
InChIInChI=1S/C17H35N5/c1-18-8-11-22(12-9-18)15-5-6-20(3)16(13-15)17-14-19(2)7-10-21(17)4/h15-17H,5-14H2,1-4H3
InChIKeyDZBMDGSFSITWNX-UHFFFAOYSA-N
XLogP-0.06
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine?
The IUPAC name of 1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine (CID 123649992) is 1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine.
What is the SMILES notation for 1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine?
The canonical SMILES for 1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine is CN1CCN(C2CCN(C)C(C3CN(C)CCN3C)C2)CC1.
What is the InChIKey of 1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine?
The InChIKey is DZBMDGSFSITWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5/c1-18-8-11-22(12-9-18)15-5-6-20(3)16(13-15)17-14-19(2)7-10-21(17)4/h15-17H,5-14H2,1-4H3.
What are the key properties of 1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine?
1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine has a molecular weight of 309.50 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-2-yl]piperazine is sourced from PubChem (CID 123649992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).