methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate

C23H29ClN2O2 — CID 15515475

IUPACmethyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
SMILESCOC(=O)C(C)(CCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C23H29ClN2O2/c1-23(22(27)28-2,19-8-4-3-5-9-19)12-7-13-25-14-16-26(17-15-25)21-11-6-10-20(24)18-21/h3-6,8-11,18H,7,12-17H2,1-2H3
InChIKeyVUQYDWRKVGVDCF-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.37
Rot. Bonds7

About methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate

methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate (PubChem CID 15515475) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate.

Molecular Properties

Compound Namemethyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
PubChem CID15515475
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Namemethyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
SMILESCOC(=O)C(C)(CCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C23H29ClN2O2/c1-23(22(27)28-2,19-8-4-3-5-9-19)12-7-13-25-14-16-26(17-15-25)21-11-6-10-20(24)18-21/h3-6,8-11,18H,7,12-17H2,1-2H3
InChIKeyVUQYDWRKVGVDCF-UHFFFAOYSA-N
XLogP4.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate with MolForge

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Related Compounds

methyl 2-methyl-2-phenyl-5-[4-[3-[3-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 90972319
propyl 2-methyl-2-phenyl-5-[4-(3-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943243
methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate
CID 15515472
methyl 2-methyl-2-phenyl-5-[4-(4-pyridin-2-ylphenyl)piperazin-1-yl]pentanoate
CID 70150689
propyl 2-methyl-5-[4-[3-(4-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91418187
methyl 3-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylhexanoate
CID 142045206
propyl 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 91481806
propan-2-yl 5-[4-[3-(3-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 90923403
propan-2-yl 2-methyl-5-[4-[3-(2-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91415918
propyl 2-methyl-5-[4-[3-(2-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91501228
propyl 5-[4-[3-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 91489162
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate?
The IUPAC name of methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate (CID 15515475) is methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate.
What is the SMILES notation for methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate?
The canonical SMILES for methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate is COC(=O)C(C)(CCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate?
The InChIKey is VUQYDWRKVGVDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-23(22(27)28-2,19-8-4-3-5-9-19)12-7-13-25-14-16-26(17-15-25)21-11-6-10-20(24)18-21/h3-6,8-11,18H,7,12-17H2,1-2H3.
What are the key properties of methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate?
methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate has a molecular weight of 400.95 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate is sourced from PubChem (CID 15515475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).