[3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone

C13H20N4O — CID 110488299

IUPAC[3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone
SMILESCN(C)c1ccc(C(=O)N2CCNCC2)cc1N
InChIInChI=1S/C13H20N4O/c1-16(2)12-4-3-10(9-11(12)14)13(18)17-7-5-15-6-8-17/h3-4,9,15H,5-8,14H2,1-2H3
InChIKeyRGSCJJDTCRPAAN-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.38
Rot. Bonds2

About [3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone

[3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone (PubChem CID 110488299) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone
PubChem CID110488299
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone
SMILESCN(C)c1ccc(C(=O)N2CCNCC2)cc1N
InChIInChI=1S/C13H20N4O/c1-16(2)12-4-3-10(9-11(12)14)13(18)17-7-5-15-6-8-17/h3-4,9,15H,5-8,14H2,1-2H3
InChIKeyRGSCJJDTCRPAAN-UHFFFAOYSA-N
XLogP0.38
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 61092413
[3-amino-4-(dimethylamino)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 61094890
1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide
CID 61089682
[3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 61222522
[3-amino-4-(dimethylamino)phenyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210938
[3-amino-4-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 55131345
[3-amino-4-(dimethylamino)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957657
[3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677517
[3-amino-4-(dimethylamino)phenyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390317
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone
CID 103804969
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone (CID 110488299) is [3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone is CN(C)c1ccc(C(=O)N2CCNCC2)cc1N.
What is the InChIKey of [3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone?
The InChIKey is RGSCJJDTCRPAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(2)12-4-3-10(9-11(12)14)13(18)17-7-5-15-6-8-17/h3-4,9,15H,5-8,14H2,1-2H3.
What are the key properties of [3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone?
[3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone has a molecular weight of 248.33 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 110488299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).