ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate

C15H19F2NO3 — CID 71866250

IUPACethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C15H19F2NO3/c1-2-21-14(19)15(20)6-8-18(9-7-15)10-11-4-3-5-12(16)13(11)17/h3-5,20H,2,6-10H2,1H3
InChIKeySJEIBCGWBGNHMK-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.85
Rot. Bonds4

About ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate

ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate (PubChem CID 71866250) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate
PubChem CID71866250
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Nameethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C15H19F2NO3/c1-2-21-14(19)15(20)6-8-18(9-7-15)10-11-4-3-5-12(16)13(11)17/h3-5,20H,2,6-10H2,1H3
InChIKeySJEIBCGWBGNHMK-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate (CID 71866250) is ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate is CCOC(=O)C1(O)CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate?
The InChIKey is SJEIBCGWBGNHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-2-21-14(19)15(20)6-8-18(9-7-15)10-11-4-3-5-12(16)13(11)17/h3-5,20H,2,6-10H2,1H3.
What are the key properties of ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate?
ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate has a molecular weight of 299.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,3-difluorophenyl)methyl]-4-hydroxypiperidine-4-carboxylate is sourced from PubChem (CID 71866250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).