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

C16H26N2O2 — CID 171308957

IUPAC2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
SMILESCCCC[C@@H](c1ccc(O)c(OC)c1)N1CCNCC1
InChIInChI=1S/C16H26N2O2/c1-3-4-5-14(18-10-8-17-9-11-18)13-6-7-15(19)16(12-13)20-2/h6-7,12,14,17,19H,3-5,8-11H2,1-2H3/t14-/m0/s1
InChIKeyXBEWDWFROUZODX-AWEZNQCLSA-N
MW278.40 g/mol
LogP2.54
Rot. Bonds6

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

2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol (PubChem CID 171308957) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
PubChem CID171308957
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
SMILESCCCC[C@@H](c1ccc(O)c(OC)c1)N1CCNCC1
InChIInChI=1S/C16H26N2O2/c1-3-4-5-14(18-10-8-17-9-11-18)13-6-7-15(19)16(12-13)20-2/h6-7,12,14,17,19H,3-5,8-11H2,1-2H3/t14-/m0/s1
InChIKeyXBEWDWFROUZODX-AWEZNQCLSA-N
XLogP2.54
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride
CID 171163905
2-methoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171303539
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
CID 171163686
1-[(1S)-1-(3-bromo-4-methoxyphenyl)pentyl]piperazine
CID 171309147
4-[(1R)-1-piperazin-1-ylhexyl]benzene-1,2-diol
CID 171307270
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171163687
1-[(1S)-1-(4-chloro-3-methoxyphenyl)hexyl]piperazine
CID 171309433
2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171273405
2,6-dimethoxy-4-[(1S)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171308702
1-[1-(3-ethoxy-4-methoxyphenyl)pentyl]-1,4-diazepane
CID 3285664
1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
CID 171307368

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol?
The IUPAC name of 2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol (CID 171308957) is 2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol?
The canonical SMILES for 2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol is CCCC[C@@H](c1ccc(O)c(OC)c1)N1CCNCC1.
What is the InChIKey of 2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol?
The InChIKey is XBEWDWFROUZODX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-5-14(18-10-8-17-9-11-18)13-6-7-15(19)16(12-13)20-2/h6-7,12,14,17,19H,3-5,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol?
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol is sourced from PubChem (CID 171308957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).