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

C15H22N2O — CID 171274672

IUPAC2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
SMILESC=CCC[C@@H](c1ccccc1O)N1CCNCC1
InChIInChI=1S/C15H22N2O/c1-2-3-7-14(17-11-9-16-10-12-17)13-6-4-5-8-15(13)18/h2,4-6,8,14,16,18H,1,3,7,9-12H2/t14-/m0/s1
InChIKeyIIMLZCZMHQWAMU-AWEZNQCLSA-N
MW246.35 g/mol
LogP2.30
Rot. Bonds5

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

2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol (PubChem CID 171274672) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol.

Molecular Properties

Compound Name2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
PubChem CID171274672
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
SMILESC=CCC[C@@H](c1ccccc1O)N1CCNCC1
InChIInChI=1S/C15H22N2O/c1-2-3-7-14(17-11-9-16-10-12-17)13-6-4-5-8-15(13)18/h2,4-6,8,14,16,18H,1,3,7,9-12H2/t14-/m0/s1
InChIKeyIIMLZCZMHQWAMU-AWEZNQCLSA-N
XLogP2.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.30
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

4-bromo-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171272892
2-[(1R)-1-piperazin-1-ylpent-4-enyl]benzonitrile
CID 171288074
4-hydroxy-3-[(1S)-1-piperazin-1-ylpent-4-enyl]benzonitrile
CID 171298551
4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171275916
1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171289612
1-[(1S)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171276987
2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171168760
2-hydroxy-3-[(1S)-1-piperazin-1-ylpent-4-enyl]benzonitrile;dihydrochloride
CID 171299631
1-[(1S)-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pent-4-enyl]piperazine
CID 171279614
2-[(1R)-1-piperazin-1-ylpent-4-enyl]benzene-1,3,5-triol
CID 171297311
4-[(1S)-1-piperazin-1-ylpent-4-enyl]benzene-1,2-diol;dihydrochloride
CID 171272501
1-[(1R)-1-(2-chloro-3-pyridinyl)pent-4-enyl]piperazine;dihydrochloride
CID 171285782

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol?
The IUPAC name of 2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol (CID 171274672) is 2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol.
What is the SMILES notation for 2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol?
The canonical SMILES for 2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol is C=CCC[C@@H](c1ccccc1O)N1CCNCC1.
What is the InChIKey of 2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol?
The InChIKey is IIMLZCZMHQWAMU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-7-14(17-11-9-16-10-12-17)13-6-4-5-8-15(13)18/h2,4-6,8,14,16,18H,1,3,7,9-12H2/t14-/m0/s1.
What are the key properties of 2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol?
2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol has a molecular weight of 246.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol is sourced from PubChem (CID 171274672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).