[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone

C13H26N4O2 — CID 115777127

IUPAC[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCN(C)CCN1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H26N4O2/c1-14(2)3-4-15-5-7-16(8-6-15)13(18)17-9-11-19-12-10-17/h3-12H2,1-2H3
InChIKeySDXXTTNZNKNQQS-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.38
Rot. Bonds3

About [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 115777127) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID115777127
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCN(C)CCN1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H26N4O2/c1-14(2)3-4-15-5-7-16(8-6-15)13(18)17-9-11-19-12-10-17/h3-12H2,1-2H3
InChIKeySDXXTTNZNKNQQS-UHFFFAOYSA-N
XLogP-0.38
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 115777127) is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone is CN(C)CCN1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is SDXXTTNZNKNQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-14(2)3-4-15-5-7-16(8-6-15)13(18)17-9-11-19-12-10-17/h3-12H2,1-2H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 270.38 g/mol, XLogP of -0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 115777127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).