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

C15H23N3O — CID 30981259

IUPAC1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-13(19)18-10-8-17(9-11-18)12-14-4-6-15(7-5-14)16(2)3/h4-7H,8-12H2,1-3H3
InChIKeyVGNMJNUCQIJAMM-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.42
Rot. Bonds3

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

1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 30981259) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID30981259
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-13(19)18-10-8-17(9-11-18)12-14-4-6-15(7-5-14)16(2)3/h4-7H,8-12H2,1-3H3
InChIKeyVGNMJNUCQIJAMM-UHFFFAOYSA-N
XLogP1.42
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 27799031
1-[4-[[4-(chloromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 175453209
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
1-[4-[[4-(aminomethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 55004248
1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997
10-[[4-[(4,7,10-tricarboxy-1,4,7,10-tetrazacyclododec-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 101418290
1-[[4-(dimethylamino)phenyl]methyl]azetidine-3-carboxylic acid
CID 65072336
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672
1-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone;sulfane
CID 170978699
[4-[(4-acetylpiperazin-1-yl)methyl]-N-carbamimidoylanilino] hydrogen carbonate
CID 140516883
1-[(6S)-4-benzyl-6-hydroxy-1,4-diazepan-1-yl]-2-[4-(dimethylamino)phenyl]ethanone
CID 97277591
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid
CID 65065662

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone (CID 30981259) is 1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is VGNMJNUCQIJAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13(19)18-10-8-17(9-11-18)12-14-4-6-15(7-5-14)16(2)3/h4-7H,8-12H2,1-3H3.
What are the key properties of 1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30981259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).