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

C23H28FNO3 — CID 25455542

IUPACethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C23H28FNO3/c1-3-28-22(26)23(16-18-7-6-9-20(15-18)27-2)11-13-25(14-12-23)17-19-8-4-5-10-21(19)24/h4-10,15H,3,11-14,16-17H2,1-2H3
InChIKeyLJSDMVCXKXRJRD-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.22
Rot. Bonds7

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

ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate (PubChem CID 25455542) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate
PubChem CID25455542
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Nameethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C23H28FNO3/c1-3-28-22(26)23(16-18-7-6-9-20(15-18)27-2)11-13-25(14-12-23)17-19-8-4-5-10-21(19)24/h4-10,15H,3,11-14,16-17H2,1-2H3
InChIKeyLJSDMVCXKXRJRD-UHFFFAOYSA-N
XLogP4.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-4-carboxylate
CID 74825594
ethyl 4-[(3-methoxyphenyl)methyl]-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxylate
CID 42596568
ethyl 4-[(3-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxylate
CID 42193901
ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
CID 42395681
ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate
CID 26411542
1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880014
ethyl 4-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxylate
CID 26325589
ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 42345116
ethyl 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 45195623
ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxylate
CID 45180380
ethyl (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 42217106
ethyl 4-[(4-chlorophenyl)methyl]-1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidine-4-carboxylate
CID 70784822

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate (CID 25455542) is ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccccc2F)CC1.
What is the InChIKey of ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate?
The InChIKey is LJSDMVCXKXRJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-3-28-22(26)23(16-18-7-6-9-20(15-18)27-2)11-13-25(14-12-23)17-19-8-4-5-10-21(19)24/h4-10,15H,3,11-14,16-17H2,1-2H3.
What are the key properties of ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate has a molecular weight of 385.48 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 25455542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).