2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride

C14H24Cl2N2O2 — CID 171281629

IUPAC2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
SMILESCC[C@@H](c1cccc(OC)c1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22N2O2.2ClH/c1-3-12(16-9-7-15-8-10-16)11-5-4-6-13(18-2)14(11)17;;/h4-6,12,15,17H,3,7-10H2,1-2H3;2*1H/t12-;;/m0../s1
InChIKeyATSBGODPIWPXPJ-LTCKWSDVSA-N
MW323.26 g/mol
LogP2.60
Rot. Bonds4

About 2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride

2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride (PubChem CID 171281629) has the molecular formula C14H24Cl2N2O2 and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride.

Molecular Properties

Compound Name2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
PubChem CID171281629
Molecular FormulaC14H24Cl2N2O2
Molecular Weight323.26 g/mol
Exact Mass322.12
IUPAC Name2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
SMILESCC[C@@H](c1cccc(OC)c1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H22N2O2.2ClH/c1-3-12(16-9-7-15-8-10-16)11-5-4-6-13(18-2)14(11)17;;/h4-6,12,15,17H,3,7-10H2,1-2H3;2*1H/t12-;;/m0../s1
InChIKeyATSBGODPIWPXPJ-LTCKWSDVSA-N
XLogP2.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170213
2-ethyl-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171298318
2-chloro-6-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171277444
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol
CID 171296646
4-fluoro-2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171299716
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)propyl]piperazine
CID 171172230
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
2-ethoxy-6-[(1S)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171284011
2-[(1R)-1-piperazin-1-ylbutyl]-6-(trifluoromethoxy)phenol;dihydrochloride
CID 171301823
2-ethoxy-6-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171296631
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 171287830

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride?
The IUPAC name of 2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride (CID 171281629) is 2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride.
What is the SMILES notation for 2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride?
The canonical SMILES for 2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride is CC[C@@H](c1cccc(OC)c1O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride?
The InChIKey is ATSBGODPIWPXPJ-LTCKWSDVSA-N. The full InChI is InChI=1S/C14H22N2O2.2ClH/c1-3-12(16-9-7-15-8-10-16)11-5-4-6-13(18-2)14(11)17;;/h4-6,12,15,17H,3,7-10H2,1-2H3;2*1H/t12-;;/m0../s1.
What are the key properties of 2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride?
2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride has a molecular weight of 323.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride is sourced from PubChem (CID 171281629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).