4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol

C22H27ClN2O — CID 46230582

IUPAC4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol
SMILESOCCCCN1CCN(/C(=C/c2cccc(Cl)c2)c2ccccc2)CC1
InChIInChI=1S/C22H27ClN2O/c23-21-10-6-7-19(17-21)18-22(20-8-2-1-3-9-20)25-14-12-24(13-15-25)11-4-5-16-26/h1-3,6-10,17-18,26H,4-5,11-16H2/b22-18+
InChIKeyNUTXMTRRKUIDED-RELWKKBWSA-N
MW370.92 g/mol
LogP4.23
Rot. Bonds7

About 4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol

4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol (PubChem CID 46230582) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol
PubChem CID46230582
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol
SMILESOCCCCN1CCN(/C(=C/c2cccc(Cl)c2)c2ccccc2)CC1
InChIInChI=1S/C22H27ClN2O/c23-21-10-6-7-19(17-21)18-22(20-8-2-1-3-9-20)25-14-12-24(13-15-25)11-4-5-16-26/h1-3,6-10,17-18,26H,4-5,11-16H2/b22-18+
InChIKeyNUTXMTRRKUIDED-RELWKKBWSA-N
XLogP4.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine
CID 46231353
2-[4-[4-[2-[2-(3-chlorophenyl)ethenyl]phenoxy]butyl]piperazin-1-yl]ethanol
CID 54312793
[4-(2-chloroethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 39161623
3-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 56807735
3-(3-chlorophenyl)-N-[3-[4-[3-[3-(3-chlorophenyl)prop-2-enoylamino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 3586028
[4-(2-bromoethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 80661118
3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide
CID 35951576
(E)-3-(3-chlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one
CID 6058638
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
[4-(3-chloropropyl)piperazin-1-yl]-phenylmethanone
CID 53486748
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750501
2-(3-chlorophenyl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63309755

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol (CID 46230582) is 4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol is OCCCCN1CCN(/C(=C/c2cccc(Cl)c2)c2ccccc2)CC1.
What is the InChIKey of 4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol?
The InChIKey is NUTXMTRRKUIDED-RELWKKBWSA-N. The full InChI is InChI=1S/C22H27ClN2O/c23-21-10-6-7-19(17-21)18-22(20-8-2-1-3-9-20)25-14-12-24(13-15-25)11-4-5-16-26/h1-3,6-10,17-18,26H,4-5,11-16H2/b22-18+.
What are the key properties of 4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol?
4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol has a molecular weight of 370.92 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 46230582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).