bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone

C17H36N6O — CID 174594660

IUPACbis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone
SMILESCN(C)CCN1CCNC(C(=O)C2CN(CCN(C)C)CCN2)C1
InChIInChI=1S/C17H36N6O/c1-20(2)9-11-22-7-5-18-15(13-22)17(24)16-14-23(8-6-19-16)12-10-21(3)4/h15-16,18-19H,5-14H2,1-4H3
InChIKeyUXYGWQHCRYNEBB-UHFFFAOYSA-N
MW340.52 g/mol
LogP-1.77
Rot. Bonds8

About bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone

bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone (PubChem CID 174594660) has the molecular formula C17H36N6O and a molecular weight of 340.52 g/mol. Its IUPAC name is bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone.

Molecular Properties

Compound Namebis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone
PubChem CID174594660
Molecular FormulaC17H36N6O
Molecular Weight340.52 g/mol
Exact Mass340.30
IUPAC Namebis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone
SMILESCN(C)CCN1CCNC(C(=O)C2CN(CCN(C)C)CCN2)C1
InChIInChI=1S/C17H36N6O/c1-20(2)9-11-22-7-5-18-15(13-22)17(24)16-14-23(8-6-19-16)12-10-21(3)4/h15-16,18-19H,5-14H2,1-4H3
InChIKeyUXYGWQHCRYNEBB-UHFFFAOYSA-N
XLogP-1.77
TPSA54.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone?
The IUPAC name of bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone (CID 174594660) is bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone.
What is the SMILES notation for bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone?
The canonical SMILES for bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone is CN(C)CCN1CCNC(C(=O)C2CN(CCN(C)C)CCN2)C1.
What is the InChIKey of bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone?
The InChIKey is UXYGWQHCRYNEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N6O/c1-20(2)9-11-22-7-5-18-15(13-22)17(24)16-14-23(8-6-19-16)12-10-21(3)4/h15-16,18-19H,5-14H2,1-4H3.
What are the key properties of bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone?
bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone has a molecular weight of 340.52 g/mol, XLogP of -1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone is sourced from PubChem (CID 174594660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).