ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate

C15H18FNO4 — CID 124574664

IUPACethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C15H18FNO4/c1-2-21-15(20)12-5-3-4-8-17(12)14(19)11-9-10(16)6-7-13(11)18/h6-7,9,12,18H,2-5,8H2,1H3/t12-/m0/s1
InChIKeyGLDPDKYKAIFEKF-LBPRGKRZSA-N
MW295.31 g/mol
LogP2.09
Rot. Bonds3

About ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate

ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate (PubChem CID 124574664) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate
PubChem CID124574664
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Nameethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C15H18FNO4/c1-2-21-15(20)12-5-3-4-8-17(12)14(19)11-9-10(16)6-7-13(11)18/h6-7,9,12,18H,2-5,8H2,1H3/t12-/m0/s1
InChIKeyGLDPDKYKAIFEKF-LBPRGKRZSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 75925808
ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 43648357
ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80997011
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
[2-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299399
ethyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627941
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
CID 43410121
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate (CID 124574664) is ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1O.
What is the InChIKey of ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate?
The InChIKey is GLDPDKYKAIFEKF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-2-21-15(20)12-5-3-4-8-17(12)14(19)11-9-10(16)6-7-13(11)18/h6-7,9,12,18H,2-5,8H2,1H3/t12-/m0/s1.
What are the key properties of ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate?
ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate has a molecular weight of 295.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 124574664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).