3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid

C17H18BrNO4 — CID 69224206

IUPAC3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccoc2)C(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C17H18BrNO4/c18-14-3-1-12(2-4-14)10-23-16-9-19(17(20)21)7-5-15(16)13-6-8-22-11-13/h1-4,6,8,11,15-16H,5,7,9-10H2,(H,20,21)
InChIKeyWFRQPIDOYFYCHX-UHFFFAOYSA-N
MW380.24 g/mol
LogP4.09
Rot. Bonds4

About 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid

3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid (PubChem CID 69224206) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid
PubChem CID69224206
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccoc2)C(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C17H18BrNO4/c18-14-3-1-12(2-4-14)10-23-16-9-19(17(20)21)7-5-15(16)13-6-8-22-11-13/h1-4,6,8,11,15-16H,5,7,9-10H2,(H,20,21)
InChIKeyWFRQPIDOYFYCHX-UHFFFAOYSA-N
XLogP4.09
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]furan
CID 59674832
tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate
CID 69225070
4-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
CID 22128667
tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 69224292
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine-1-carboxylic acid
CID 22126829
3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid
CID 22127962
4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid
CID 141023299
tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
CID 72640505
tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate
CID 91221582
tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
CID 72640511
3-[[7-[(dimethylamino)methyl]naphthalen-2-yl]methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid
CID 22128195
4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate
CID 22127028

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid (CID 69224206) is 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccoc2)C(OCc2ccc(Br)cc2)C1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid?
The InChIKey is WFRQPIDOYFYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4/c18-14-3-1-12(2-4-14)10-23-16-9-19(17(20)21)7-5-15(16)13-6-8-22-11-13/h1-4,6,8,11,15-16H,5,7,9-10H2,(H,20,21).
What are the key properties of 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid?
3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid has a molecular weight of 380.24 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 69224206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).