[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone

C16H26N4O — CID 62890118

IUPAC[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1
InChIInChI=1S/C16H26N4O/c1-17-15-6-4-14(5-7-15)16(21)20-12-10-19(11-13-20)9-8-18(2)3/h4-7,17H,8-13H2,1-3H3
InChIKeyGDOBMYZVDVEEKD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.05
Rot. Bonds5

About [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone

[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone (PubChem CID 62890118) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone
PubChem CID62890118
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1
InChIInChI=1S/C16H26N4O/c1-17-15-6-4-14(5-7-15)16(21)20-12-10-19(11-13-20)9-8-18(2)3/h4-7,17H,8-13H2,1-3H3
InChIKeyGDOBMYZVDVEEKD-UHFFFAOYSA-N
XLogP1.05
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(4-sulfanylphenyl)methanone
CID 107028812
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]benzaldehyde
CID 87981370
(6-chloro-3-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 60712392
(3-amino-4-bromophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62884852
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 75460696
[4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone
CID 139375674
1-[2-(4-bromophenyl)ethyl]piperazine;[4-[2-(4-bromophenyl)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone
CID 67912219
(2,3-dihydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 114344314
(2-bromofuran-3-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 106853905
(4-ethoxypiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55047272
2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 62890165

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone (CID 62890118) is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone is CNc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone?
The InChIKey is GDOBMYZVDVEEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-17-15-6-4-14(5-7-15)16(21)20-12-10-19(11-13-20)9-8-18(2)3/h4-7,17H,8-13H2,1-3H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone?
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone has a molecular weight of 290.41 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone is sourced from PubChem (CID 62890118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).