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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).