5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine

C14H22FN3 — CID 54963571

IUPAC5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
SMILESCCCN1CCC(Nc2cc(N)cc(F)c2)CC1
InChIInChI=1S/C14H22FN3/c1-2-5-18-6-3-13(4-7-18)17-14-9-11(15)8-12(16)10-14/h8-10,13,17H,2-7,16H2,1H3
InChIKeyFOTCMNHBLSXKKE-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.69
Rot. Bonds4

About 5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine

5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine (PubChem CID 54963571) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
PubChem CID54963571
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
SMILESCCCN1CCC(Nc2cc(N)cc(F)c2)CC1
InChIInChI=1S/C14H22FN3/c1-2-5-18-6-3-13(4-7-18)17-14-9-11(15)8-12(16)10-14/h8-10,13,17H,2-7,16H2,1H3
InChIKeyFOTCMNHBLSXKKE-UHFFFAOYSA-N
XLogP2.69
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.69
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

N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
CID 107572762
3-N-(4-ethylcyclohexyl)-5-fluorobenzene-1,3-diamine
CID 54955628
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
CID 107572074
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine
CID 116735684
3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine
CID 104533592
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
CID 117027556
N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine
CID 80901769
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine (CID 54963571) is 5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine is CCCN1CCC(Nc2cc(N)cc(F)c2)CC1.
What is the InChIKey of 5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine?
The InChIKey is FOTCMNHBLSXKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-2-5-18-6-3-13(4-7-18)17-14-9-11(15)8-12(16)10-14/h8-10,13,17H,2-7,16H2,1H3.
What are the key properties of 5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine?
5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine has a molecular weight of 251.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine is sourced from PubChem (CID 54963571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).