2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol

C14H20N2O — CID 117269462

IUPAC2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol
SMILESC=C(Cc1ccccc1O)CN1CCNCC1
InChIInChI=1S/C14H20N2O/c1-12(11-16-8-6-15-7-9-16)10-13-4-2-3-5-14(13)17/h2-5,15,17H,1,6-11H2
InChIKeyBFVXPTBFOYLLMC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.40
Rot. Bonds4

About 2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol

2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol (PubChem CID 117269462) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol.

Molecular Properties

Compound Name2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol
PubChem CID117269462
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol
SMILESC=C(Cc1ccccc1O)CN1CCNCC1
InChIInChI=1S/C14H20N2O/c1-12(11-16-8-6-15-7-9-16)10-13-4-2-3-5-14(13)17/h2-5,15,17H,1,6-11H2
InChIKeyBFVXPTBFOYLLMC-UHFFFAOYSA-N
XLogP1.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enyl]piperazine
CID 117269449
2-(4-piperazin-1-ylbutyl)phenol
CID 83930504
1-[(Z)-2-benzylbut-2-enyl]piperazine
CID 22628674
1-(2-benzylprop-2-enyl)piperidine
CID 53360886
2-[(6-amino-1,4-diazepan-1-yl)methyl]phenol
CID 175050449
1-piperazin-1-yloxypiperazine;2-prop-2-enylphenol
CID 67837577
4-(piperazin-1-ylmethyl)naphthalen-1-ol
CID 82263156
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381
1-[2-(3-methylphenyl)prop-2-enyl]piperazine
CID 82509183
azane;1-benzylpiperazine
CID 174866973
4-(piperazin-1-ylmethyl)benzene-1,2,3-triol
CID 12900434
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol?
The IUPAC name of 2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol (CID 117269462) is 2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol.
What is the SMILES notation for 2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol?
The canonical SMILES for 2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol is C=C(Cc1ccccc1O)CN1CCNCC1.
What is the InChIKey of 2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol?
The InChIKey is BFVXPTBFOYLLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(11-16-8-6-15-7-9-16)10-13-4-2-3-5-14(13)17/h2-5,15,17H,1,6-11H2.
What are the key properties of 2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol?
2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol has a molecular weight of 232.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol is sourced from PubChem (CID 117269462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).