1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one

C32H37F2N3O — CID 69039780

IUPAC1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one
SMILESCC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)N1CCC(C(c2ccccc2)N2CCN(C)CC2)CC1
InChIInChI=1S/C32H37F2N3O/c1-24(38)32(27-8-12-29(33)13-9-27,28-10-14-30(34)15-11-28)37-18-16-26(17-19-37)31(25-6-4-3-5-7-25)36-22-20-35(2)21-23-36/h3-15,26,31H,16-23H2,1-2H3
InChIKeyCAWDVYWUUFCTPO-UHFFFAOYSA-N
MW517.66 g/mol
LogP5.50
Rot. Bonds7

About 1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one

1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one (PubChem CID 69039780) has the molecular formula C32H37F2N3O and a molecular weight of 517.66 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one
PubChem CID69039780
Molecular FormulaC32H37F2N3O
Molecular Weight517.66 g/mol
Exact Mass517.29
IUPAC Name1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one
SMILESCC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)N1CCC(C(c2ccccc2)N2CCN(C)CC2)CC1
InChIInChI=1S/C32H37F2N3O/c1-24(38)32(27-8-12-29(33)13-9-27,28-10-14-30(34)15-11-28)37-18-16-26(17-19-37)31(25-6-4-3-5-7-25)36-22-20-35(2)21-23-36/h3-15,26,31H,16-23H2,1-2H3
InChIKeyCAWDVYWUUFCTPO-UHFFFAOYSA-N
XLogP5.50
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.66
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one 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-[cyclohexyl(phenyl)methyl]-4-methylpiperazine
CID 24842055
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 61342532
2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide
CID 110353349
ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 142061545
trans-(3R,6S)-3-methyl-2-[(4-methylpiperazin-1-yl)-phenylmethyl]-6-propan-2-ylcyclohexan-1-ol
CID 10246930
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid
CID 119349525
(2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol
CID 24781288
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
N-cyclopropyl-N-(1-methylpiperidin-4-yl)-2,2-diphenylacetamide
CID 4170750

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one?
The IUPAC name of 1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one (CID 69039780) is 1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one?
The canonical SMILES for 1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one is CC(=O)C(c1ccc(F)cc1)(c1ccc(F)cc1)N1CCC(C(c2ccccc2)N2CCN(C)CC2)CC1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one?
The InChIKey is CAWDVYWUUFCTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F2N3O/c1-24(38)32(27-8-12-29(33)13-9-27,28-10-14-30(34)15-11-28)37-18-16-26(17-19-37)31(25-6-4-3-5-7-25)36-22-20-35(2)21-23-36/h3-15,26,31H,16-23H2,1-2H3.
What are the key properties of 1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one?
1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one has a molecular weight of 517.66 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)-1-[4-[(4-methylpiperazin-1-yl)-phenylmethyl]piperidin-1-yl]propan-2-one is sourced from PubChem (CID 69039780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).