(E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol

C23H26N2OS — CID 19919637

IUPAC(E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol
SMILESOC/C=C/c1cc2c(N3CCN(CCc4ccccc4)CC3)cccc2s1
InChIInChI=1S/C23H26N2OS/c26-17-5-8-20-18-21-22(9-4-10-23(21)27-20)25-15-13-24(14-16-25)12-11-19-6-2-1-3-7-19/h1-10,18,26H,11-17H2/b8-5+
InChIKeyBEQQVNJWDNRKKI-VMPITWQZSA-N
MW378.54 g/mol
LogP4.27
Rot. Bonds6

About (E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol

(E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol (PubChem CID 19919637) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is (E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol
PubChem CID19919637
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name(E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol
SMILESOC/C=C/c1cc2c(N3CCN(CCc4ccccc4)CC3)cccc2s1
InChIInChI=1S/C23H26N2OS/c26-17-5-8-20-18-21-22(9-4-10-23(21)27-20)25-15-13-24(14-16-25)12-11-19-6-2-1-3-7-19/h1-10,18,26H,11-17H2/b8-5+
InChIKeyBEQQVNJWDNRKKI-VMPITWQZSA-N
XLogP4.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol with MolForge

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Related Compounds

[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanamine;dihydrochloride
CID 19919596
4-(4-propylpiperazin-1-yl)-1-benzothiophene-2-carboxylic acid
CID 57323023
ethyl 4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophene-2-carboxylate;hydrochloride
CID 67619262
2-fluoro-3-[4-(2-phenylethyl)piperazin-1-yl]benzoic acid
CID 15289956
(3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 18121598
9-[4-(2-phenylethyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 3044295
4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one
CID 11837123
6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine
CID 138374893
6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 138374857
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
5-[4-[2-(3-iodophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 57444355
ethyl 3-[4-[2-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-enoate
CID 67810257

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol (CID 19919637) is (E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol is OC/C=C/c1cc2c(N3CCN(CCc4ccccc4)CC3)cccc2s1.
What is the InChIKey of (E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol?
The InChIKey is BEQQVNJWDNRKKI-VMPITWQZSA-N. The full InChI is InChI=1S/C23H26N2OS/c26-17-5-8-20-18-21-22(9-4-10-23(21)27-20)25-15-13-24(14-16-25)12-11-19-6-2-1-3-7-19/h1-10,18,26H,11-17H2/b8-5+.
What are the key properties of (E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol?
(E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol has a molecular weight of 378.54 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 19919637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).