2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate

C21H23ClN2O2 — CID 20561

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O2/c22-19-7-9-20(10-8-19)24-14-12-23(13-15-24)16-17-26-21(25)11-6-18-4-2-1-3-5-18/h1-11H,12-17H2
InChIKeyNUGWNQMHDLTMSI-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.72
Rot. Bonds6

About 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate

2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate (PubChem CID 20561) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate
PubChem CID20561
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O2/c22-19-7-9-20(10-8-19)24-14-12-23(13-15-24)16-17-26-21(25)11-6-18-4-2-1-3-5-18/h1-11H,12-17H2
InChIKeyNUGWNQMHDLTMSI-UHFFFAOYSA-N
XLogP3.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl (E)-3-phenylprop-2-enoate
CID 6433409
(Z)-but-2-enedioic acid;1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-phenylpiperazine
CID 6436567
(E)-1-[4-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 176945307
2-[2,4,6-trioxo-3,5-bis[2-(3-phenylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 3-phenylprop-2-enoate
CID 89491265
bis((Z)-but-2-enedioic acid);4-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]morpholine
CID 24840227
[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 68632305
propyl 3-(4-chlorophenyl)prop-2-enoate
CID 73010685
(E)-N'-(4-chlorophenyl)-3-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-enimidamide
CID 59789896
(E)-3-(4-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]prop-2-enamide
CID 39993399
(E)-5-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one
CID 6437941
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide
CID 1128763
2-methylidene-4-(3-phenylprop-2-enoyloxy)butanoic acid
CID 57040443

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate (CID 20561) is 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)OCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate?
The InChIKey is NUGWNQMHDLTMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-19-7-9-20(10-8-19)24-14-12-23(13-15-24)16-17-26-21(25)11-6-18-4-2-1-3-5-18/h1-11H,12-17H2.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate?
2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate has a molecular weight of 370.88 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 3-phenylprop-2-enoate is sourced from PubChem (CID 20561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).