2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine

C15H23F2N3 — CID 63736165

IUPAC2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine
SMILESCC(CNc1ccc(N)cc1C(F)F)N1CCCCC1
InChIInChI=1S/C15H23F2N3/c1-11(20-7-3-2-4-8-20)10-19-14-6-5-12(18)9-13(14)15(16)17/h5-6,9,11,15,19H,2-4,7-8,10,18H2,1H3
InChIKeyJDHLPYHARRJMAJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.49
Rot. Bonds5

About 2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine (PubChem CID 63736165) has the molecular formula C15H23F2N3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine
PubChem CID63736165
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine
SMILESCC(CNc1ccc(N)cc1C(F)F)N1CCCCC1
InChIInChI=1S/C15H23F2N3/c1-11(20-7-3-2-4-8-20)10-19-14-6-5-12(18)9-13(14)15(16)17/h5-6,9,11,15,19H,2-4,7-8,10,18H2,1H3
InChIKeyJDHLPYHARRJMAJ-UHFFFAOYSA-N
XLogP3.49
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 63749720
2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline
CID 115511527
2,3-difluoro-4-(2-pyrrolidin-1-ylpropylamino)benzenecarbothioamide
CID 107935151
4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine
CID 113367725
3-chloro-4-(2-piperidin-1-ylpropylamino)benzonitrile
CID 63093620
5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine
CID 80740126
4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine
CID 83007891
2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
CID 63733911
2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 55230611
2-(difluoromethyl)-1-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzene-1,4-diamine
CID 63896312
3-bromo-4-(2-piperidin-1-ylpropylamino)benzonitrile
CID 82797280
3-N-(2-piperidin-1-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739984

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine (CID 63736165) is 2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine is CC(CNc1ccc(N)cc1C(F)F)N1CCCCC1.
What is the InChIKey of 2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine?
The InChIKey is JDHLPYHARRJMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-11(20-7-3-2-4-8-20)10-19-14-6-5-12(18)9-13(14)15(16)17/h5-6,9,11,15,19H,2-4,7-8,10,18H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine has a molecular weight of 283.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 63736165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).