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

C16H25N3O — CID 60699160

IUPAC1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1N1CCN(CCN(C)C)CC1
InChIInChI=1S/C16H25N3O/c1-14(20)15-6-4-5-7-16(15)19-12-10-18(11-13-19)9-8-17(2)3/h4-7H,8-13H2,1-3H3
InChIKeyVHXHPSFWWXREDJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.57
Rot. Bonds5

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

1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 60699160) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone
PubChem CID60699160
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1N1CCN(CCN(C)C)CC1
InChIInChI=1S/C16H25N3O/c1-14(20)15-6-4-5-7-16(15)19-12-10-18(11-13-19)9-8-17(2)3/h4-7H,8-13H2,1-3H3
InChIKeyVHXHPSFWWXREDJ-UHFFFAOYSA-N
XLogP1.57
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567
1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone
CID 67532992
4-chloro-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]benzoic acid
CID 63083188
2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62890361
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]benzoic acid
CID 62889305
N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 42848378
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 25360108
2-acetyl-6-(4-propylpiperazin-1-yl)benzonitrile
CID 67532630
5-chloro-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]benzenecarbothioamide
CID 62890191
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
CID 61420820
(2,3-dihydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 114344314
1-[3-(4-hexylpiperazin-1-yl)-2-prop-1-en-2-ylphenyl]ethanone
CID 168902831

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone (CID 60699160) is 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccccc1N1CCN(CCN(C)C)CC1.
What is the InChIKey of 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is VHXHPSFWWXREDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-14(20)15-6-4-5-7-16(15)19-12-10-18(11-13-19)9-8-17(2)3/h4-7H,8-13H2,1-3H3.
What are the key properties of 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone?
1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 275.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 60699160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).