ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate

C14H19FN2O2 — CID 113470964

IUPACethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cncc(F)c2)CC1
InChIInChI=1S/C14H19FN2O2/c1-2-19-14(18)12-3-5-17(6-4-12)10-11-7-13(15)9-16-8-11/h7-9,12H,2-6,10H2,1H3
InChIKeyQBBRAHCOYLWKCY-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.00
Rot. Bonds4

About ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate

ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate (PubChem CID 113470964) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
PubChem CID113470964
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Nameethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cncc(F)c2)CC1
InChIInChI=1S/C14H19FN2O2/c1-2-19-14(18)12-3-5-17(6-4-12)10-11-7-13(15)9-16-8-11/h7-9,12H,2-6,10H2,1H3
InChIKeyQBBRAHCOYLWKCY-UHFFFAOYSA-N
XLogP2.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate
CID 42851813
ethyl 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 87929233
methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 104956290
N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine
CID 114084046
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
CID 70894132
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 171323447
ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate
CID 66155315
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 1080789
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383296

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate (CID 113470964) is ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cncc(F)c2)CC1.
What is the InChIKey of ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate?
The InChIKey is QBBRAHCOYLWKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-19-14(18)12-3-5-17(6-4-12)10-11-7-13(15)9-16-8-11/h7-9,12H,2-6,10H2,1H3.
What are the key properties of ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 113470964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).