1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol

C19H23BrN2O2 — CID 4303694

IUPAC1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
SMILESOC(CN1CCNCC1)c1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C19H23BrN2O2/c20-17-12-16(18(23)13-22-10-8-21-9-11-22)6-7-19(17)24-14-15-4-2-1-3-5-15/h1-7,12,18,21,23H,8-11,13-14H2
InChIKeyRNECVLPLELITST-UHFFFAOYSA-N
MW391.31 g/mol
LogP2.97
Rot. Bonds6

About 1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol

1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol (PubChem CID 4303694) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
PubChem CID4303694
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
SMILESOC(CN1CCNCC1)c1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C19H23BrN2O2/c20-17-12-16(18(23)13-22-10-8-21-9-11-22)6-7-19(17)24-14-15-4-2-1-3-5-15/h1-7,12,18,21,23H,8-11,13-14H2
InChIKeyRNECVLPLELITST-UHFFFAOYSA-N
XLogP2.97
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 3876367
1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol
CID 4676253
1-(5-nitro-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 4019021
3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(3-bromo-4-phenylmethoxyphenyl)methanol
CID 134498894
1-[1-(3-fluoro-4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68851913
1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 141118408
(3-bromo-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanethione
CID 1021094
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 58899964
(3R)-3-amino-3-(3-bromo-4-phenylmethoxyphenyl)propanoic acid
CID 7022682
1-[1-[4-phenylmethoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68855014
1-[(2-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3735914
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol (CID 4303694) is 1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol is OC(CN1CCNCC1)c1ccc(OCc2ccccc2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol?
The InChIKey is RNECVLPLELITST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c20-17-12-16(18(23)13-22-10-8-21-9-11-22)6-7-19(17)24-14-15-4-2-1-3-5-15/h1-7,12,18,21,23H,8-11,13-14H2.
What are the key properties of 1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol?
1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol has a molecular weight of 391.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 4303694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).