2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol

C16H23BrN2O2 — CID 171291740

IUPAC2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol
SMILESCCOc1cc([C@@H](C2CC2)N2CCNCC2)cc(Br)c1O
InChIInChI=1S/C16H23BrN2O2/c1-2-21-14-10-12(9-13(17)16(14)20)15(11-3-4-11)19-7-5-18-6-8-19/h9-11,15,18,20H,2-8H2,1H3/t15-/m1/s1
InChIKeyVZHNRYQBLJJYSO-OAHLLOKOSA-N
MW355.28 g/mol
LogP2.91
Rot. Bonds5

About 2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol

2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol (PubChem CID 171291740) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol
PubChem CID171291740
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol
SMILESCCOc1cc([C@@H](C2CC2)N2CCNCC2)cc(Br)c1O
InChIInChI=1S/C16H23BrN2O2/c1-2-21-14-10-12(9-13(17)16(14)20)15(11-3-4-11)19-7-5-18-6-8-19/h9-11,15,18,20H,2-8H2,1H3/t15-/m1/s1
InChIKeyVZHNRYQBLJJYSO-OAHLLOKOSA-N
XLogP2.91
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]-6-ethoxyphenol
CID 171180020
2-bromo-6-ethoxy-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171180025
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
CID 171274564
2-bromo-6-ethoxy-4-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171302823
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2,6-diiodophenol
CID 171283871
1-[(R)-(4-bromo-3,5-dimethoxyphenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171288222
2-bromo-6-ethoxy-4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171291752
2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171278504
1-[(S)-cyclobutyl-(3-ethoxy-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280900
2-bromo-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171301210
1-[(R)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclopropylmethyl]piperazine
CID 171295923
5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171286479

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol?
The IUPAC name of 2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol (CID 171291740) is 2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol?
The canonical SMILES for 2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol is CCOc1cc([C@@H](C2CC2)N2CCNCC2)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol?
The InChIKey is VZHNRYQBLJJYSO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-2-21-14-10-12(9-13(17)16(14)20)15(11-3-4-11)19-7-5-18-6-8-19/h9-11,15,18,20H,2-8H2,1H3/t15-/m1/s1.
What are the key properties of 2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol?
2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol has a molecular weight of 355.28 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol is sourced from PubChem (CID 171291740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).