2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol

C13H18N2O — CID 14070346

IUPAC2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol
SMILESOc1ccccc1/C=C/CN1CCNCC1
InChIInChI=1S/C13H18N2O/c16-13-6-2-1-4-12(13)5-3-9-15-10-7-14-8-11-15/h1-6,14,16H,7-11H2/b5-3+
InChIKeyCAGPBRJVSGQGTF-HWKANZROSA-N
MW218.30 g/mol
LogP1.31
Rot. Bonds3

About 2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol

2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol (PubChem CID 14070346) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol
PubChem CID14070346
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol
SMILESOc1ccccc1/C=C/CN1CCNCC1
InChIInChI=1S/C13H18N2O/c16-13-6-2-1-4-12(13)5-3-9-15-10-7-14-8-11-15/h1-6,14,16H,7-11H2/b5-3+
InChIKeyCAGPBRJVSGQGTF-HWKANZROSA-N
XLogP1.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-piperidin-1-ylprop-1-enyl)phenol
CID 150024311
2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one
CID 134546049
(E)-3-(2-hydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one;2-[(E)-3-piperidin-1-ylprop-1-enyl]phenol
CID 159467988
2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol
CID 10647833
1-(3-phenylprop-2-enyl)imidazolidine
CID 161124295
2-[(E)-3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]phenol
CID 19985725
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
CID 91941402
1-[(Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 117269353
1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine
CID 95457646
1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enyl]-1,4-diazepane
CID 82301892
1-[3-(3-tritylimidazol-4-yl)prop-2-enyl]piperazine
CID 141040855
4-[(E)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enyl]morpholine
CID 142417025

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol?
The IUPAC name of 2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol (CID 14070346) is 2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol.
What is the SMILES notation for 2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol?
The canonical SMILES for 2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol is Oc1ccccc1/C=C/CN1CCNCC1.
What is the InChIKey of 2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol?
The InChIKey is CAGPBRJVSGQGTF-HWKANZROSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13-6-2-1-4-12(13)5-3-9-15-10-7-14-8-11-15/h1-6,14,16H,7-11H2/b5-3+.
What are the key properties of 2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol?
2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol has a molecular weight of 218.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol is sourced from PubChem (CID 14070346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).