4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid

C27H24BrNO5 — CID 166000557

IUPAC4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(Oc2ccccc2Br)(C(=O)O)CC1
InChIInChI=1S/C27H24BrNO5/c28-23-11-5-6-12-24(23)34-27(25(30)31)13-15-29(16-14-27)26(32)33-17-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-12,22H,13-17H2,(H,30,31)
InChIKeyKHOQQXVAGBQODX-UHFFFAOYSA-N
MW522.40 g/mol
LogP5.70
Rot. Bonds5

About 4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid

4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid (PubChem CID 166000557) has the molecular formula C27H24BrNO5 and a molecular weight of 522.40 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
PubChem CID166000557
Molecular FormulaC27H24BrNO5
Molecular Weight522.40 g/mol
Exact Mass521.08
IUPAC Name4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(Oc2ccccc2Br)(C(=O)O)CC1
InChIInChI=1S/C27H24BrNO5/c28-23-11-5-6-12-24(23)34-27(25(30)31)13-15-29(16-14-27)26(32)33-17-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-12,22H,13-17H2,(H,30,31)
InChIKeyKHOQQXVAGBQODX-UHFFFAOYSA-N
XLogP5.70
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.40
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
4-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167725398
4-cyano-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 154879025
9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
CID 118275293
9H-fluoren-9-ylmethyl 4-carbonochloridoyl-4-phenylpiperidine-1-carboxylate
CID 59840495
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid
CID 74892117
3-(3-bromophenyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 146049077
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid (CID 166000557) is 4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid is O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(Oc2ccccc2Br)(C(=O)O)CC1.
What is the InChIKey of 4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The InChIKey is KHOQQXVAGBQODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrNO5/c28-23-11-5-6-12-24(23)34-27(25(30)31)13-15-29(16-14-27)26(32)33-17-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-12,22H,13-17H2,(H,30,31).
What are the key properties of 4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid has a molecular weight of 522.40 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 166000557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).