4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one

C14H21N3O — CID 171624506

IUPAC4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one
SMILESCN(C)Cc1ccc(N2CCN(C)C(=O)C2)cc1
InChIInChI=1S/C14H21N3O/c1-15(2)10-12-4-6-13(7-5-12)17-9-8-16(3)14(18)11-17/h4-7H,8-11H2,1-3H3
InChIKeyCKAQCNMPRSYKEO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.03
Rot. Bonds3

About 4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one

4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one (PubChem CID 171624506) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one
PubChem CID171624506
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one
SMILESCN(C)Cc1ccc(N2CCN(C)C(=O)C2)cc1
InChIInChI=1S/C14H21N3O/c1-15(2)10-12-4-6-13(7-5-12)17-9-8-16(3)14(18)11-17/h4-7H,8-11H2,1-3H3
InChIKeyCKAQCNMPRSYKEO-UHFFFAOYSA-N
XLogP1.03
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.03
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-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one
CID 117340746
3-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]propanal
CID 117368103
4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one
CID 117342549
N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 82538094
1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one
CID 117371591
4-(4-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 64681400
4-[4-[(1S)-1-aminoethyl]phenyl]-1-methylpiperazin-2-one
CID 78997047
4-[4-(1-aminoethyl)phenyl]-1-methylpiperazin-2-one
CID 64693857
N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide
CID 130280941
4-[4-[(cyclopropylamino)methyl]phenyl]-1-methyl-1,4-diazepan-2-one
CID 102889713
3-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]butanal
CID 117405171
4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one
CID 117005230

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one (CID 171624506) is 4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one is CN(C)Cc1ccc(N2CCN(C)C(=O)C2)cc1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one?
The InChIKey is CKAQCNMPRSYKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15(2)10-12-4-6-13(7-5-12)17-9-8-16(3)14(18)11-17/h4-7H,8-11H2,1-3H3.
What are the key properties of 4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one?
4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 171624506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).