ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate

C23H25FN2O2 — CID 10271142

IUPACethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cc3ccccc3n2-c2ccc(F)cc2)C1
InChIInChI=1S/C23H25FN2O2/c1-2-28-23(27)18-7-5-13-25(15-18)16-21-14-17-6-3-4-8-22(17)26(21)20-11-9-19(24)10-12-20/h3-4,6,8-12,14,18H,2,5,7,13,15-16H2,1H3
InChIKeyZHAXNULVMKEPQQ-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.54
Rot. Bonds5

About ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate

ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate (PubChem CID 10271142) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate
PubChem CID10271142
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Nameethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cc3ccccc3n2-c2ccc(F)cc2)C1
InChIInChI=1S/C23H25FN2O2/c1-2-28-23(27)18-7-5-13-25(15-18)16-21-14-17-6-3-4-8-22(17)26(21)20-11-9-19(24)10-12-20/h3-4,6,8-12,14,18H,2,5,7,13,15-16H2,1H3
InChIKeyZHAXNULVMKEPQQ-UHFFFAOYSA-N
XLogP4.54
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate
CID 10271712
ethyl (3R)-1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 103885835
ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763743
ethyl (3S)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763740
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
CID 2838593
ethyl (3R)-1-[(3,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763085
ethyl (3R)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 104794493
ethyl 1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 45195176
ethyl (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41315370
ethyl (3R)-1-[2-[2,2-bis(2,5-difluorophenyl)ethenoxy]ethyl]piperidine-3-carboxylate
CID 10767316
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate (CID 10271142) is ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2cc3ccccc3n2-c2ccc(F)cc2)C1.
What is the InChIKey of ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate?
The InChIKey is ZHAXNULVMKEPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-2-28-23(27)18-7-5-13-25(15-18)16-21-14-17-6-3-4-8-22(17)26(21)20-11-9-19(24)10-12-20/h3-4,6,8-12,14,18H,2,5,7,13,15-16H2,1H3.
What are the key properties of ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate?
ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate has a molecular weight of 380.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[1-(4-fluorophenyl)indol-2-yl]methyl]piperidine-3-carboxylate is sourced from PubChem (CID 10271142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).