propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate

C31H37FN2O2 — CID 91489162

IUPACpropyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
SMILESCCCOC(=O)C(C)(CCCN1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1)c1ccccc1
InChIInChI=1S/C31H37FN2O2/c1-3-23-36-30(35)31(2,27-10-5-4-6-11-27)17-8-18-33-19-21-34(22-20-33)29-12-7-9-26(24-29)25-13-15-28(32)16-14-25/h4-7,9-16,24H,3,8,17-23H2,1-2H3
InChIKeyYBHYJZYLQSUKLF-UHFFFAOYSA-N
MW488.65 g/mol
LogP6.31
Rot. Bonds10

About propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate

propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate (PubChem CID 91489162) has the molecular formula C31H37FN2O2 and a molecular weight of 488.65 g/mol. Its IUPAC name is propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate.

Molecular Properties

Compound Namepropyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
PubChem CID91489162
Molecular FormulaC31H37FN2O2
Molecular Weight488.65 g/mol
Exact Mass488.28
IUPAC Namepropyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
SMILESCCCOC(=O)C(C)(CCCN1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1)c1ccccc1
InChIInChI=1S/C31H37FN2O2/c1-3-23-36-30(35)31(2,27-10-5-4-6-11-27)17-8-18-33-19-21-34(22-20-33)29-12-7-9-26(24-29)25-13-15-28(32)16-14-25/h4-7,9-16,24H,3,8,17-23H2,1-2H3
InChIKeyYBHYJZYLQSUKLF-UHFFFAOYSA-N
XLogP6.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.65
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate 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

propyl 2-methyl-2-phenyl-5-[4-(3-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943243
propyl 2-methyl-5-[4-[3-(4-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91418187
propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 91481806
propyl 2-methyl-5-[4-[3-(2-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91501228
propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 139943265
ethyl 2-methyl-2-phenyl-5-[4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 91108888
propan-2-yl 5-[4-[3-(3-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 90923403
methyl 2-methyl-2-phenyl-5-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 90972319
methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 15515475
propan-2-yl 2-methyl-2-phenyl-5-[4-(4-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943267
methyl 2-ethyl-5-[4-[3-(4-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 139943242
ethyl 2-ethyl-5-[4-[3-(3-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91085333

Frequently Asked Questions

What is the IUPAC name of propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate?
The IUPAC name of propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate (CID 91489162) is propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate.
What is the SMILES notation for propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate?
The canonical SMILES for propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate is CCCOC(=O)C(C)(CCCN1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1)c1ccccc1.
What is the InChIKey of propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate?
The InChIKey is YBHYJZYLQSUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN2O2/c1-3-23-36-30(35)31(2,27-10-5-4-6-11-27)17-8-18-33-19-21-34(22-20-33)29-12-7-9-26(24-29)25-13-15-28(32)16-14-25/h4-7,9-16,24H,3,8,17-23H2,1-2H3.
What are the key properties of propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate?
propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate has a molecular weight of 488.65 g/mol, XLogP of 6.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate is sourced from PubChem (CID 91489162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).