3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline

C19H31FN4 — CID 143719345

IUPAC3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline
SMILESCNc1ccc(N2CCC(N3CCN(C(C)C)CC3)CC2)c(F)c1
InChIInChI=1S/C19H31FN4/c1-15(2)22-10-12-23(13-11-22)17-6-8-24(9-7-17)19-5-4-16(21-3)14-18(19)20/h4-5,14-15,17,21H,6-13H2,1-3H3
InChIKeyIBLRYZVXGZXCDB-UHFFFAOYSA-N
MW334.48 g/mol
LogP2.86
Rot. Bonds4

About 3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline

3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline (PubChem CID 143719345) has the molecular formula C19H31FN4 and a molecular weight of 334.48 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline
PubChem CID143719345
Molecular FormulaC19H31FN4
Molecular Weight334.48 g/mol
Exact Mass334.25
IUPAC Name3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline
SMILESCNc1ccc(N2CCC(N3CCN(C(C)C)CC3)CC2)c(F)c1
InChIInChI=1S/C19H31FN4/c1-15(2)22-10-12-23(13-11-22)17-6-8-24(9-7-17)19-5-4-16(21-3)14-18(19)20/h4-5,14-15,17,21H,6-13H2,1-3H3
InChIKeyIBLRYZVXGZXCDB-UHFFFAOYSA-N
XLogP2.86
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 70912989
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
1-(4-tert-butyl-2-fluorophenyl)-4-pyrrolidin-1-ylpiperidine
CID 59295552
1-(2-fluoro-4-methylphenyl)-4-(4-methylpiperidin-1-yl)piperidine
CID 90191101
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
5-fluoro-N-[3-fluoro-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 155546039
3-[3-fluoro-4-[4-[4-(methylamino)cyclohexyl]piperazin-1-yl]anilino]piperidine-2,6-dione
CID 172590660
[4-[1-(4-tert-butyl-2-fluorophenyl)piperidin-4-yl]piperazin-1-yl]methanamine
CID 149038889
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
CID 62369446
1-(4-butan-2-yl-2-fluorophenyl)-4-(oxan-4-yl)piperazine
CID 135291685
3-fluoro-N-methyl-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]aniline
CID 175200901

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline?
The IUPAC name of 3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline (CID 143719345) is 3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline.
What is the SMILES notation for 3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline?
The canonical SMILES for 3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline is CNc1ccc(N2CCC(N3CCN(C(C)C)CC3)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline?
The InChIKey is IBLRYZVXGZXCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4/c1-15(2)22-10-12-23(13-11-22)17-6-8-24(9-7-17)19-5-4-16(21-3)14-18(19)20/h4-5,14-15,17,21H,6-13H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline?
3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline has a molecular weight of 334.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]aniline is sourced from PubChem (CID 143719345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).