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

C16H24N2O2 — CID 171275916

IUPAC4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
SMILESC=CCC[C@@H](c1cc(OC)ccc1O)N1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-15(18-10-8-17-9-11-18)14-12-13(20-2)6-7-16(14)19/h3,6-7,12,15,17,19H,1,4-5,8-11H2,2H3/t15-/m0/s1
InChIKeyOFPZEGIRWDSENQ-HNNXBMFYSA-N
MW276.38 g/mol
LogP2.31
Rot. Bonds6

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

4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol (PubChem CID 171275916) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
PubChem CID171275916
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
SMILESC=CCC[C@@H](c1cc(OC)ccc1O)N1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-15(18-10-8-17-9-11-18)14-12-13(20-2)6-7-16(14)19/h3,6-7,12,15,17,19H,1,4-5,8-11H2,2H3/t15-/m0/s1
InChIKeyOFPZEGIRWDSENQ-HNNXBMFYSA-N
XLogP2.31
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171288520
1-[(1S)-1-(2-bromo-5-methoxyphenyl)pent-4-enyl]piperazine
CID 171277514
2-[(1S)-1-piperazin-1-ylpent-4-enyl]-4-(trifluoromethoxy)phenol;dihydrochloride
CID 171280511
2-bromo-4-methoxy-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171301231
4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307637
4-bromo-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171272892
4-hydroxy-3-[(1S)-1-piperazin-1-ylpent-4-enyl]benzonitrile
CID 171298551
2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171274672
3-methoxy-4-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171274519
2-[(1R)-1-piperazin-1-ylhept-6-enyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171172155
3,5-dimethoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171278932
1-[(1S)-1-(2-fluoro-4-methoxyphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171163200

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol?
The IUPAC name of 4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol (CID 171275916) is 4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol?
The canonical SMILES for 4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol is C=CCC[C@@H](c1cc(OC)ccc1O)N1CCNCC1.
What is the InChIKey of 4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol?
The InChIKey is OFPZEGIRWDSENQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-5-15(18-10-8-17-9-11-18)14-12-13(20-2)6-7-16(14)19/h3,6-7,12,15,17,19H,1,4-5,8-11H2,2H3/t15-/m0/s1.
What are the key properties of 4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol?
4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol has a molecular weight of 276.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol is sourced from PubChem (CID 171275916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).