N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine

C27H41FN4 — CID 174246530

IUPACN-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine
SMILESC=C1CCC(NC(=C)c2ccc(N3CCN(CC(CCC)CCC)CC3)cc2F)C(=C)N1
InChIInChI=1S/C27H41FN4/c1-6-8-23(9-7-2)19-31-14-16-32(17-15-31)24-11-12-25(26(28)18-24)21(4)30-27-13-10-20(3)29-22(27)5/h11-12,18,23,27,29-30H,3-10,13-17,19H2,1-2H3
InChIKeySXLGMEYMWMGYEN-UHFFFAOYSA-N
MW440.65 g/mol
LogP5.50
Rot. Bonds10

About N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine

N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine (PubChem CID 174246530) has the molecular formula C27H41FN4 and a molecular weight of 440.65 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine
PubChem CID174246530
Molecular FormulaC27H41FN4
Molecular Weight440.65 g/mol
Exact Mass440.33
IUPAC NameN-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine
SMILESC=C1CCC(NC(=C)c2ccc(N3CCN(CC(CCC)CCC)CC3)cc2F)C(=C)N1
InChIInChI=1S/C27H41FN4/c1-6-8-23(9-7-2)19-31-14-16-32(17-15-31)24-11-12-25(26(28)18-24)21(4)30-27-13-10-20(3)29-22(27)5/h11-12,18,23,27,29-30H,3-10,13-17,19H2,1-2H3
InChIKeySXLGMEYMWMGYEN-UHFFFAOYSA-N
XLogP5.50
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.65
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine 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 N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine?
The IUPAC name of N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine (CID 174246530) is N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine.
What is the SMILES notation for N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine?
The canonical SMILES for N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine is C=C1CCC(NC(=C)c2ccc(N3CCN(CC(CCC)CCC)CC3)cc2F)C(=C)N1.
What is the InChIKey of N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine?
The InChIKey is SXLGMEYMWMGYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41FN4/c1-6-8-23(9-7-2)19-31-14-16-32(17-15-31)24-11-12-25(26(28)18-24)21(4)30-27-13-10-20(3)29-22(27)5/h11-12,18,23,27,29-30H,3-10,13-17,19H2,1-2H3.
What are the key properties of N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine?
N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine has a molecular weight of 440.65 g/mol, XLogP of 5.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-[4-(2-propylpentyl)piperazin-1-yl]phenyl]ethenyl]-2,6-dimethylidenepiperidin-3-amine is sourced from PubChem (CID 174246530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).