4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine

C14H21BrFN3 — CID 116735684

IUPAC4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine
SMILESCCCN1CCC(Nc2cc(Br)c(F)cc2N)CC1
InChIInChI=1S/C14H21BrFN3/c1-2-5-19-6-3-10(4-7-19)18-14-8-11(15)12(16)9-13(14)17/h8-10,18H,2-7,17H2,1H3
InChIKeyZYBGPIINVMPXQX-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.46
Rot. Bonds4

About 4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine

4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine (PubChem CID 116735684) has the molecular formula C14H21BrFN3 and a molecular weight of 330.25 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine
PubChem CID116735684
Molecular FormulaC14H21BrFN3
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC Name4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine
SMILESCCCN1CCC(Nc2cc(Br)c(F)cc2N)CC1
InChIInChI=1S/C14H21BrFN3/c1-2-5-19-6-3-10(4-7-19)18-14-8-11(15)12(16)9-13(14)17/h8-10,18H,2-7,17H2,1H3
InChIKeyZYBGPIINVMPXQX-UHFFFAOYSA-N
XLogP3.46
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.46
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

4-bromo-5-fluoro-1-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
CID 66111099
4-bromo-2-N-(4,4-dimethylcyclohexyl)-5-fluorobenzene-1,2-diamine
CID 116735998
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine
CID 107598285
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine
CID 116736273
5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
CID 54963571
N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine
CID 103411071
4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide
CID 63356906
6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115425364
N-(2-bromo-5-methylphenyl)-1-propylazepan-4-amine
CID 82761578
3-bromo-4-[(1-propylpiperidin-4-yl)amino]benzoic acid
CID 82800456

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine (CID 116735684) is 4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine is CCCN1CCC(Nc2cc(Br)c(F)cc2N)CC1.
What is the InChIKey of 4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine?
The InChIKey is ZYBGPIINVMPXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN3/c1-2-5-19-6-3-10(4-7-19)18-14-8-11(15)12(16)9-13(14)17/h8-10,18H,2-7,17H2,1H3.
What are the key properties of 4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine?
4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine has a molecular weight of 330.25 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 116735684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).