2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride

C13H22Cl2N2O2 — CID 171288751

IUPAC2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
SMILESCOc1cc([C@@H](C)N2CCNCC2)ccc1O.Cl.Cl
InChIInChI=1S/C13H20N2O2.2ClH/c1-10(15-7-5-14-6-8-15)11-3-4-12(16)13(9-11)17-2;;/h3-4,9-10,14,16H,5-8H2,1-2H3;2*1H/t10-;;/m1../s1
InChIKeyQZAKPCDBKILLCC-YQFADDPSSA-N
MW309.24 g/mol
LogP2.21
Rot. Bonds3

About 2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride

2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride (PubChem CID 171288751) has the molecular formula C13H22Cl2N2O2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride.

Molecular Properties

Compound Name2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
PubChem CID171288751
Molecular FormulaC13H22Cl2N2O2
Molecular Weight309.24 g/mol
Exact Mass308.11
IUPAC Name2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
SMILESCOc1cc([C@@H](C)N2CCNCC2)ccc1O.Cl.Cl
InChIInChI=1S/C13H20N2O2.2ClH/c1-10(15-7-5-14-6-8-15)11-3-4-12(16)13(9-11)17-2;;/h3-4,9-10,14,16H,5-8H2,1-2H3;2*1H/t10-;;/m1../s1
InChIKeyQZAKPCDBKILLCC-YQFADDPSSA-N
XLogP2.21
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
1-[(1S)-1-(4-chloro-3-methoxyphenyl)ethyl]piperazine
CID 171281064
4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride
CID 171163905
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
CID 171276134
2-methoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171303539
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
CID 82966334
4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol
CID 82983373
2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
CID 83979179
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The IUPAC name of 2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride (CID 171288751) is 2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride.
What is the SMILES notation for 2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The canonical SMILES for 2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride is COc1cc([C@@H](C)N2CCNCC2)ccc1O.Cl.Cl.
What is the InChIKey of 2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride?
The InChIKey is QZAKPCDBKILLCC-YQFADDPSSA-N. The full InChI is InChI=1S/C13H20N2O2.2ClH/c1-10(15-7-5-14-6-8-15)11-3-4-12(16)13(9-11)17-2;;/h3-4,9-10,14,16H,5-8H2,1-2H3;2*1H/t10-;;/m1../s1.
What are the key properties of 2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride?
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride is sourced from PubChem (CID 171288751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).