propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate

C32H39FN2O2 — CID 90947905

IUPACpropan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
SMILESCCC(CCCN1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1)(C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C32H39FN2O2/c1-4-32(31(36)37-25(2)3,28-9-6-5-7-10-28)19-8-20-34-21-23-35(24-22-34)30-17-13-27(14-18-30)26-11-15-29(33)16-12-26/h5-7,9-18,25H,4,8,19-24H2,1-3H3
InChIKeyQOKCKBXNFQQEOO-UHFFFAOYSA-N
MW502.67 g/mol
LogP6.69
Rot. Bonds10

About propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate

propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate (PubChem CID 90947905) has the molecular formula C32H39FN2O2 and a molecular weight of 502.67 g/mol. Its IUPAC name is propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate.

Molecular Properties

Compound Namepropan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
PubChem CID90947905
Molecular FormulaC32H39FN2O2
Molecular Weight502.67 g/mol
Exact Mass502.30
IUPAC Namepropan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
SMILESCCC(CCCN1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1)(C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C32H39FN2O2/c1-4-32(31(36)37-25(2)3,28-9-6-5-7-10-28)19-8-20-34-21-23-35(24-22-34)30-17-13-27(14-18-30)26-11-15-29(33)16-12-26/h5-7,9-18,25H,4,8,19-24H2,1-3H3
InChIKeyQOKCKBXNFQQEOO-UHFFFAOYSA-N
XLogP6.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.67
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-ethyl-2-phenyl-5-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 91259463
propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate
CID 139943299
propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate
CID 90973274
propan-2-yl 2-methyl-2-phenyl-5-[4-(4-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943267
propan-2-yl 5-[4-[3-(3-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 90923403
methyl 2-ethyl-5-[4-[3-(4-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 139943242
ethyl 2-ethyl-5-[4-[3-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 139943290
propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 91489162
ethyl 2-ethyl-5-[4-[3-(3-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91085333
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 2-methyl-5-[4-[3-(2-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91415918

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate?
The IUPAC name of propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate (CID 90947905) is propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate.
What is the SMILES notation for propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate?
The canonical SMILES for propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate is CCC(CCCN1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1)(C(=O)OC(C)C)c1ccccc1.
What is the InChIKey of propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate?
The InChIKey is QOKCKBXNFQQEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN2O2/c1-4-32(31(36)37-25(2)3,28-9-6-5-7-10-28)19-8-20-34-21-23-35(24-22-34)30-17-13-27(14-18-30)26-11-15-29(33)16-12-26/h5-7,9-18,25H,4,8,19-24H2,1-3H3.
What are the key properties of propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate?
propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate has a molecular weight of 502.67 g/mol, XLogP of 6.69, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate is sourced from PubChem (CID 90947905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).