2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride

C15H26Cl2N2O2 — CID 171273405

IUPAC2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
SMILESCCC[C@@H](c1ccc(OC)c(O)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24N2O2.2ClH/c1-3-4-13(17-9-7-16-8-10-17)12-5-6-15(19-2)14(18)11-12;;/h5-6,11,13,16,18H,3-4,7-10H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKeyPVRKIOBHVCYUKN-GXKRWWSZSA-N
MW337.29 g/mol
LogP2.99
Rot. Bonds5

About 2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride

2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride (PubChem CID 171273405) has the molecular formula C15H26Cl2N2O2 and a molecular weight of 337.29 g/mol. Its IUPAC name is 2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride.

Molecular Properties

Compound Name2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
PubChem CID171273405
Molecular FormulaC15H26Cl2N2O2
Molecular Weight337.29 g/mol
Exact Mass336.14
IUPAC Name2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
SMILESCCC[C@@H](c1ccc(OC)c(O)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24N2O2.2ClH/c1-3-4-13(17-9-7-16-8-10-17)12-5-6-15(19-2)14(18)11-12;;/h5-6,11,13,16,18H,3-4,7-10H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKeyPVRKIOBHVCYUKN-GXKRWWSZSA-N
XLogP2.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine
CID 171293533
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
[2-methoxy-4-[(1S)-1-piperazin-1-ylbutyl]phenyl] acetate
CID 171280951
4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride
CID 171163905
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
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;hydrochloride
CID 171163687
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171275608
2-chloro-4-[(1S)-1-piperazin-1-ylbutyl]phenol
CID 171275716
6-[(1S)-1-piperazin-1-ylbutyl]naphthalen-2-ol;dihydrochloride
CID 171275163
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
CID 171163686

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
The IUPAC name of 2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride (CID 171273405) is 2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride.
What is the SMILES notation for 2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
The canonical SMILES for 2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride is CCC[C@@H](c1ccc(OC)c(O)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
The InChIKey is PVRKIOBHVCYUKN-GXKRWWSZSA-N. The full InChI is InChI=1S/C15H24N2O2.2ClH/c1-3-4-13(17-9-7-16-8-10-17)12-5-6-15(19-2)14(18)11-12;;/h5-6,11,13,16,18H,3-4,7-10H2,1-2H3;2*1H/t13-;;/m0../s1.
What are the key properties of 2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride?
2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride has a molecular weight of 337.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride is sourced from PubChem (CID 171273405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).