4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine

C15H23ClFN3 — CID 103552997

IUPAC4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine
SMILESCC(C)(C)C1CCN(c2c(N)cc(N)c(Cl)c2F)CC1
InChIInChI=1S/C15H23ClFN3/c1-15(2,3)9-4-6-20(7-5-9)14-11(19)8-10(18)12(16)13(14)17/h8-9H,4-7,18-19H2,1-3H3
InChIKeyIJAATGBPADTUIY-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.91
Rot. Bonds1

About 4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine

4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine (PubChem CID 103552997) has the molecular formula C15H23ClFN3 and a molecular weight of 299.82 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine
PubChem CID103552997
Molecular FormulaC15H23ClFN3
Molecular Weight299.82 g/mol
Exact Mass299.16
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine
SMILESCC(C)(C)C1CCN(c2c(N)cc(N)c(Cl)c2F)CC1
InChIInChI=1S/C15H23ClFN3/c1-15(2,3)9-4-6-20(7-5-9)14-11(19)8-10(18)12(16)13(14)17/h8-9H,4-7,18-19H2,1-3H3
InChIKeyIJAATGBPADTUIY-UHFFFAOYSA-N
XLogP3.91
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.91
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-(3-tert-butylpyrrolidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553442
1-[1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 103553396
1-(4,6-diamino-3-chloro-2-fluorophenyl)-4-methylpiperidin-4-ol
CID 103553332
4-chloro-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzene-1,3-diamine
CID 103553073
4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine
CID 103553095
4-(4-tert-butylpiperidin-1-yl)-2-chloro-5-methylaniline
CID 115554840
4-chloro-6-(3-ethoxypiperidin-1-yl)-5-fluorobenzene-1,3-diamine
CID 103552889
2-chloro-3,5-difluoro-4-piperidin-1-ylaniline
CID 106701631
4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine
CID 106750697
1-(4,6-diamino-3-chloro-2-fluorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 103552707
1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 103552483
4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81285537

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine (CID 103552997) is 4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine is CC(C)(C)C1CCN(c2c(N)cc(N)c(Cl)c2F)CC1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine?
The InChIKey is IJAATGBPADTUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN3/c1-15(2,3)9-4-6-20(7-5-9)14-11(19)8-10(18)12(16)13(14)17/h8-9H,4-7,18-19H2,1-3H3.
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine?
4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine has a molecular weight of 299.82 g/mol, XLogP of 3.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine is sourced from PubChem (CID 103552997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).