1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine

C14H23FN4 — CID 103590423

IUPAC1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(NCC2CN(C)CCN2C)c(N)cc1F
InChIInChI=1S/C14H23FN4/c1-10-6-14(13(16)7-12(10)15)17-8-11-9-18(2)4-5-19(11)3/h6-7,11,17H,4-5,8-9,16H2,1-3H3
InChIKeyZVHWJIOVEYVRLB-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.37
Rot. Bonds3

About 1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine

1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine (PubChem CID 103590423) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
PubChem CID103590423
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(NCC2CN(C)CCN2C)c(N)cc1F
InChIInChI=1S/C14H23FN4/c1-10-6-14(13(16)7-12(10)15)17-8-11-9-18(2)4-5-19(11)3/h6-7,11,17H,4-5,8-9,16H2,1-3H3
InChIKeyZVHWJIOVEYVRLB-UHFFFAOYSA-N
XLogP1.37
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.37
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

1-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590215
4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine
CID 103590249
6-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-indazole-5,6-diamine
CID 107490314
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 113234222
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5-difluorobenzamide
CID 63884569
4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120184
2-bromo-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine
CID 63897227
2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine
CID 63896312
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78954732
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-fluorobenzoic acid
CID 63898073
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylbenzenecarbothioamide
CID 63898429

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine (CID 103590423) is 1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine is Cc1cc(NCC2CN(C)CCN2C)c(N)cc1F.
What is the InChIKey of 1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine?
The InChIKey is ZVHWJIOVEYVRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-10-6-14(13(16)7-12(10)15)17-8-11-9-18(2)4-5-19(11)3/h6-7,11,17H,4-5,8-9,16H2,1-3H3.
What are the key properties of 1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine?
1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 103590423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).