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

C15H23ClFN3 — CID 103553095

IUPAC4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine
SMILESCCC1(CC)CCN(c2c(N)cc(N)c(Cl)c2F)CC1
InChIInChI=1S/C15H23ClFN3/c1-3-15(4-2)5-7-20(8-6-15)14-11(19)9-10(18)12(16)13(14)17/h9H,3-8,18-19H2,1-2H3
InChIKeyRCJBDQQLKGYVGX-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.05
Rot. Bonds3

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

4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine (PubChem CID 103553095) has the molecular formula C15H23ClFN3 and a molecular weight of 299.82 g/mol. Its IUPAC name is 4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine
PubChem CID103553095
Molecular FormulaC15H23ClFN3
Molecular Weight299.82 g/mol
Exact Mass299.16
IUPAC Name4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine
SMILESCCC1(CC)CCN(c2c(N)cc(N)c(Cl)c2F)CC1
InChIInChI=1S/C15H23ClFN3/c1-3-15(4-2)5-7-20(8-6-15)14-11(19)9-10(18)12(16)13(14)17/h9H,3-8,18-19H2,1-2H3
InChIKeyRCJBDQQLKGYVGX-UHFFFAOYSA-N
XLogP4.05
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 54.05
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-Chloro-5-(4-methyl-1-piperidinyl)-4-nitroaniline
CID 2921571
3-Chloro-2-(4-methylpiperidin-1-yl)aniline
CID 1079271
5-Chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline
CID 66079118
5-Chloro-2-methylamino-4-(3-(trifluoromethyl)piperidin-1-yl)aniline
CID 67957692
4-Chloro-2-amino-5-(4-trifluoromethyl-piperidin-1-yl)aniline
CID 67957699
4-Chloro-2-methylamino-5-(4-trifluoromethyl-piperidin-1-yl)aniline
CID 67957790
5-Chloro-2-methylamino-4-(4-fluoropiperidin-1-yl)-aniline
CID 67957985
5-Chloro-2-methylamino-4-(4-trifluoromethyl-piperidin-1-yl)aniline
CID 67958171
N-[5-chloro-2-(methylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]phenyl]hydroxylamine
CID 123834634
4-chloro-2-N,2-N-dihydroxy-1-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]benzene-1,2-diamine
CID 124032461
2-Chloro-4-fluoro-5-piperidin-1-ylaniline
CID 139405315
3-Chloro-5-fluoro-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)aniline
CID 142373202

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine?
The IUPAC name of 4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine (CID 103553095) is 4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine.
What is the SMILES notation for 4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine?
The canonical SMILES for 4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine is CCC1(CC)CCN(c2c(N)cc(N)c(Cl)c2F)CC1.
What is the InChIKey of 4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine?
The InChIKey is RCJBDQQLKGYVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN3/c1-3-15(4-2)5-7-20(8-6-15)14-11(19)9-10(18)12(16)13(14)17/h9H,3-8,18-19H2,1-2H3.
What are the key properties of 4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine?
4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine has a molecular weight of 299.82 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine is sourced from PubChem (CID 103553095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).