4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol

C13H18N2O — CID 131631160

IUPAC4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@@H](c1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C13H18N2O/c1-2-13(15-9-7-14-8-10-15)11-3-5-12(16)6-4-11/h2-6,13-14,16H,1,7-10H2/t13-/m0/s1
InChIKeyVJDXJFZGGNDNPV-ZDUSSCGKSA-N
MW218.30 g/mol
LogP1.52
Rot. Bonds3

About 4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol

4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol (PubChem CID 131631160) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol.

Molecular Properties

Compound Name4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
PubChem CID131631160
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@@H](c1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C13H18N2O/c1-2-13(15-9-7-14-8-10-15)11-3-5-12(16)6-4-11/h2-6,13-14,16H,1,7-10H2/t13-/m0/s1
InChIKeyVJDXJFZGGNDNPV-ZDUSSCGKSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171285428
2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171296483
1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171285322
1-[(1S)-1-(4-bromo-3-fluorophenyl)prop-2-enyl]piperazine
CID 171163518
2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131622980
trimethyl-[4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenoxy]silane;dihydrochloride
CID 171291643
1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine
CID 171288389
2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171274552
2-nitro-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171273881
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171171185
1-[(1S)-1-(3-chloro-4-fluorophenyl)prop-2-enyl]piperazine
CID 171163445
1-[(1S)-1-(4-chloro-3-fluorophenyl)prop-2-enyl]piperazine
CID 171166426

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol?
The IUPAC name of 4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol (CID 131631160) is 4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol.
What is the SMILES notation for 4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol?
The canonical SMILES for 4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol is C=C[C@@H](c1ccc(O)cc1)N1CCNCC1.
What is the InChIKey of 4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol?
The InChIKey is VJDXJFZGGNDNPV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-13(15-9-7-14-8-10-15)11-3-5-12(16)6-4-11/h2-6,13-14,16H,1,7-10H2/t13-/m0/s1.
What are the key properties of 4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol?
4-[(1S)-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 4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol is sourced from PubChem (CID 131631160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).