4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine

C22H28FN3 — CID 142881597

IUPAC4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine
SMILESCC(=C1CCN(CCCc2ccc(N)c(N)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H28FN3/c1-16(18-5-7-20(23)8-6-18)19-10-13-26(14-11-19)12-2-3-17-4-9-21(24)22(25)15-17/h4-9,15H,2-3,10-14,24-25H2,1H3
InChIKeyGHBCVWYSLWAUKO-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.49
Rot. Bonds5

About 4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine

4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine (PubChem CID 142881597) has the molecular formula C22H28FN3 and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine
PubChem CID142881597
Molecular FormulaC22H28FN3
Molecular Weight353.49 g/mol
Exact Mass353.23
IUPAC Name4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine
SMILESCC(=C1CCN(CCCc2ccc(N)c(N)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H28FN3/c1-16(18-5-7-20(23)8-6-18)19-10-13-26(14-11-19)12-2-3-17-4-9-21(24)22(25)15-17/h4-9,15H,2-3,10-14,24-25H2,1H3
InChIKeyGHBCVWYSLWAUKO-UHFFFAOYSA-N
XLogP4.49
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine?
The IUPAC name of 4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine (CID 142881597) is 4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine.
What is the SMILES notation for 4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine?
The canonical SMILES for 4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine is CC(=C1CCN(CCCc2ccc(N)c(N)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine?
The InChIKey is GHBCVWYSLWAUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3/c1-16(18-5-7-20(23)8-6-18)19-10-13-26(14-11-19)12-2-3-17-4-9-21(24)22(25)15-17/h4-9,15H,2-3,10-14,24-25H2,1H3.
What are the key properties of 4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine?
4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine has a molecular weight of 353.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine is sourced from PubChem (CID 142881597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).