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

C26H35ClN2O2 — CID 139943299

IUPACpropan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate
SMILESCCC(CCCN1CCN(c2ccc(Cl)cc2)CC1)(C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C26H35ClN2O2/c1-4-26(25(30)31-21(2)3,22-9-6-5-7-10-22)15-8-16-28-17-19-29(20-18-28)24-13-11-23(27)12-14-24/h5-7,9-14,21H,4,8,15-20H2,1-3H3
InChIKeyILCHDRMTAPBWEG-UHFFFAOYSA-N
MW443.03 g/mol
LogP5.54
Rot. Bonds9

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

propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate (PubChem CID 139943299) has the molecular formula C26H35ClN2O2 and a molecular weight of 443.03 g/mol. Its IUPAC name is propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate.

Molecular Properties

Compound Namepropan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate
PubChem CID139943299
Molecular FormulaC26H35ClN2O2
Molecular Weight443.03 g/mol
Exact Mass442.24
IUPAC Namepropan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate
SMILESCCC(CCCN1CCN(c2ccc(Cl)cc2)CC1)(C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C26H35ClN2O2/c1-4-26(25(30)31-21(2)3,22-9-6-5-7-10-22)15-8-16-28-17-19-29(20-18-28)24-13-11-23(27)12-14-24/h5-7,9-14,21H,4,8,15-20H2,1-3H3
InChIKeyILCHDRMTAPBWEG-UHFFFAOYSA-N
XLogP5.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.03
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 5-[4-[3-(4-chlorophenyl)phenyl]piperazin-1-yl]-2-ethyl-2-phenylpentanoate
CID 90973274
propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 90947905
propan-2-yl 2-ethyl-2-phenyl-5-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 91259463
propan-2-yl 2-methyl-2-phenyl-5-[4-(4-phenylphenyl)piperazin-1-yl]pentanoate
CID 139943267
1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine
CID 70151216
ethyl 2-ethyl-5-[4-[3-(3-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91085333
ethyl 2-ethyl-5-[4-[3-(2-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 139943290
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
methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 15515475
propan-2-yl 2-methyl-5-[4-[3-(2-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91415918
[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 68632305

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate?
The IUPAC name of propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate (CID 139943299) is propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate.
What is the SMILES notation for propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate?
The canonical SMILES for propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate is CCC(CCCN1CCN(c2ccc(Cl)cc2)CC1)(C(=O)OC(C)C)c1ccccc1.
What is the InChIKey of propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate?
The InChIKey is ILCHDRMTAPBWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN2O2/c1-4-26(25(30)31-21(2)3,22-9-6-5-7-10-22)15-8-16-28-17-19-29(20-18-28)24-13-11-23(27)12-14-24/h5-7,9-14,21H,4,8,15-20H2,1-3H3.
What are the key properties of propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate?
propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate has a molecular weight of 443.03 g/mol, XLogP of 5.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[4-(4-chlorophenyl)piperazin-1-yl]-2-ethyl-2-phenylpentanoate is sourced from PubChem (CID 139943299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).