3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride

C13H20Cl2N2O — CID 171285428

IUPAC3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
SMILESC=C[C@H](c1cccc(O)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H18N2O.2ClH/c1-2-13(15-8-6-14-7-9-15)11-4-3-5-12(16)10-11;;/h2-5,10,13-14,16H,1,6-9H2;2*1H/t13-;;/m1../s1
InChIKeyLMGLUTFYNNQTIR-FFXKMJQXSA-N
MW291.22 g/mol
LogP2.37
Rot. Bonds3

About 3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride

3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride (PubChem CID 171285428) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride.

Molecular Properties

Compound Name3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
PubChem CID171285428
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
SMILESC=C[C@H](c1cccc(O)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H18N2O.2ClH/c1-2-13(15-8-6-14-7-9-15)11-4-3-5-12(16)10-11;;/h2-5,10,13-14,16H,1,6-9H2;2*1H/t13-;;/m1../s1
InChIKeyLMGLUTFYNNQTIR-FFXKMJQXSA-N
XLogP2.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.37
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-[(1R)-1-(3-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171286216
1-[(1R)-1-(3-phenylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171295733
1-[(1S)-1-(3-iodophenyl)prop-2-enyl]piperazine
CID 131360304
3-[(1R)-1-piperazin-1-ylprop-2-enyl]benzonitrile;dihydrochloride
CID 171287601
4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131631160
3-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285431
3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride
CID 23080544
1-[(1R)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171171215
2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171296483
2-nitro-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171273881
2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131622980
3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272827

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride?
The IUPAC name of 3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride (CID 171285428) is 3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride.
What is the SMILES notation for 3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride?
The canonical SMILES for 3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride is C=C[C@H](c1cccc(O)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride?
The InChIKey is LMGLUTFYNNQTIR-FFXKMJQXSA-N. The full InChI is InChI=1S/C13H18N2O.2ClH/c1-2-13(15-8-6-14-7-9-15)11-4-3-5-12(16)10-11;;/h2-5,10,13-14,16H,1,6-9H2;2*1H/t13-;;/m1../s1.
What are the key properties of 3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride?
3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride has a molecular weight of 291.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride is sourced from PubChem (CID 171285428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).