2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol

C13H18N2O — CID 131622980

IUPAC2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@H](c1ccccc1O)N1CCNCC1
InChIInChI=1S/C13H18N2O/c1-2-12(15-9-7-14-8-10-15)11-5-3-4-6-13(11)16/h2-6,12,14,16H,1,7-10H2/t12-/m1/s1
InChIKeyFVSACSXQDTXVIP-GFCCVEGCSA-N
MW218.30 g/mol
LogP1.52
Rot. Bonds3

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

2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol (PubChem CID 131622980) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol.

Molecular Properties

Compound Name2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
PubChem CID131622980
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@H](c1ccccc1O)N1CCNCC1
InChIInChI=1S/C13H18N2O/c1-2-12(15-9-7-14-8-10-15)11-5-3-4-6-13(11)16/h2-6,12,14,16H,1,7-10H2/t12-/m1/s1
InChIKeyFVSACSXQDTXVIP-GFCCVEGCSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(2-fluorophenyl)prop-2-enyl]piperazine
CID 102231371
1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171294072
4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171168152
1-[1-(2-phenylphenyl)prop-2-enyl]piperazine
CID 67317637
2-bromo-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171288588
1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride
CID 171294037
2-[(1S)-1-piperazin-1-ylprop-2-enyl]benzonitrile
CID 171275414
5-phenylmethoxy-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171295657
2-[(1S)-1-piperazin-1-ylprop-2-enyl]-4-(trifluoromethyl)phenol;dihydrochloride
CID 171299039
1-[(1R)-1-(2,3-dimethylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171288426
1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride
CID 171293086
4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131631160

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The IUPAC name of 2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol (CID 131622980) is 2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol.
What is the SMILES notation for 2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The canonical SMILES for 2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol is C=C[C@H](c1ccccc1O)N1CCNCC1.
What is the InChIKey of 2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The InChIKey is FVSACSXQDTXVIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-12(15-9-7-14-8-10-15)11-5-3-4-6-13(11)16/h2-6,12,14,16H,1,7-10H2/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol has a molecular weight of 218.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol is sourced from PubChem (CID 131622980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).