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

C31H37FN2O2 — CID 139943265

IUPACpropyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
SMILESCCCOC(=O)C(C)(CCCN1CCN(c2ccc(-c3ccccc3F)cc2)CC1)c1ccccc1
InChIInChI=1S/C31H37FN2O2/c1-3-24-36-30(35)31(2,26-10-5-4-6-11-26)18-9-19-33-20-22-34(23-21-33)27-16-14-25(15-17-27)28-12-7-8-13-29(28)32/h4-8,10-17H,3,9,18-24H2,1-2H3
InChIKeyVOVMTHKZRPTPMN-UHFFFAOYSA-N
MW488.65 g/mol
LogP6.31
Rot. Bonds10

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

propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate (PubChem CID 139943265) has the molecular formula C31H37FN2O2 and a molecular weight of 488.65 g/mol. Its IUPAC name is propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate.

Molecular Properties

Compound Namepropyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
PubChem CID139943265
Molecular FormulaC31H37FN2O2
Molecular Weight488.65 g/mol
Exact Mass488.28
IUPAC Namepropyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
SMILESCCCOC(=O)C(C)(CCCN1CCN(c2ccc(-c3ccccc3F)cc2)CC1)c1ccccc1
InChIInChI=1S/C31H37FN2O2/c1-3-24-36-30(35)31(2,26-10-5-4-6-11-26)18-9-19-33-20-22-34(23-21-33)27-16-14-25(15-17-27)28-12-7-8-13-29(28)32/h4-8,10-17H,3,9,18-24H2,1-2H3
InChIKeyVOVMTHKZRPTPMN-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-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate with MolForge

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Related Compounds

propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 91489162
propyl 2-methyl-2-phenyl-5-[4-(3-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943243
propyl 2-methyl-5-[4-[3-(2-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91501228
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
ethyl 2-methyl-2-phenyl-5-[4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 91108888
propan-2-yl 2-methyl-2-phenyl-5-[4-(4-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943267
ethyl 2-ethyl-5-[4-[3-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 139943290
methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate
CID 70150689
propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 90947905
methyl 2-methyl-2-phenyl-5-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 90972319
propan-2-yl 5-[4-[3-(3-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 90923403

Frequently Asked Questions

What is the IUPAC name of propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate?
The IUPAC name of propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate (CID 139943265) is propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate.
What is the SMILES notation for propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate?
The canonical SMILES for propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate is CCCOC(=O)C(C)(CCCN1CCN(c2ccc(-c3ccccc3F)cc2)CC1)c1ccccc1.
What is the InChIKey of propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate?
The InChIKey is VOVMTHKZRPTPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN2O2/c1-3-24-36-30(35)31(2,26-10-5-4-6-11-26)18-9-19-33-20-22-34(23-21-33)27-16-14-25(15-17-27)28-12-7-8-13-29(28)32/h4-8,10-17H,3,9,18-24H2,1-2H3.
What are the key properties of propyl 5-[4-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate?
propyl 5-[4-[4-(2-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-[4-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate is sourced from PubChem (CID 139943265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).