1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid

C27H27NO3 — CID 10387048

IUPAC1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCOC2(c3ccccc3)c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C27H27NO3/c29-26(30)20-9-8-16-28(19-20)17-18-31-27(21-10-2-1-3-11-21)24-14-6-4-12-22(24)23-13-5-7-15-25(23)27/h1-7,10-15,20H,8-9,16-19H2,(H,29,30)
InChIKeyLHKRFOVRKWCSPL-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.77
Rot. Bonds6

About 1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid

1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid (PubChem CID 10387048) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid
PubChem CID10387048
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCOC2(c3ccccc3)c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C27H27NO3/c29-26(30)20-9-8-16-28(19-20)17-18-31-27(21-10-2-1-3-11-21)24-14-6-4-12-22(24)23-13-5-7-15-25(23)27/h1-7,10-15,20H,8-9,16-19H2,(H,29,30)
InChIKeyLHKRFOVRKWCSPL-UHFFFAOYSA-N
XLogP4.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate
CID 10434259
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 11079073
(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid
CID 10620277
1-[3-[3-[3-[3-(3-carboxypiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]piperidine-3-carboxylic acid
CID 175890294
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
1-[2-[4-(N-phenylanilino)butoxy]ethyl]piperidine-3-carboxylic acid
CID 21266393
(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid
CID 54444555
(3R)-1-[2-[2-[2-(N-phenylanilino)ethoxy]ethoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45265298
(3R)-1-[2-(2-phenoxazin-10-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 10915935
1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid
CID 61070324

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid (CID 10387048) is 1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(CCOC2(c3ccccc3)c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid?
The InChIKey is LHKRFOVRKWCSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c29-26(30)20-9-8-16-28(19-20)17-18-31-27(21-10-2-1-3-11-21)24-14-6-4-12-22(24)23-13-5-7-15-25(23)27/h1-7,10-15,20H,8-9,16-19H2,(H,29,30).
What are the key properties of 1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid?
1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid has a molecular weight of 413.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 10387048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).