2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate

C14H19FN2O3 — CID 154766416

IUPAC2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate
SMILESO=C(OCCF)N1CCC(O)(Cc2ccncc2)CC1
InChIInChI=1S/C14H19FN2O3/c15-5-10-20-13(18)17-8-3-14(19,4-9-17)11-12-1-6-16-7-2-12/h1-2,6-7,19H,3-5,8-11H2
InChIKeyMYACUHLRWJSGCO-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.56
Rot. Bonds4

About 2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate

2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate (PubChem CID 154766416) has the molecular formula C14H19FN2O3 and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate
PubChem CID154766416
Molecular FormulaC14H19FN2O3
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Name2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate
SMILESO=C(OCCF)N1CCC(O)(Cc2ccncc2)CC1
InChIInChI=1S/C14H19FN2O3/c15-5-10-20-13(18)17-8-3-14(19,4-9-17)11-12-1-6-16-7-2-12/h1-2,6-7,19H,3-5,8-11H2
InChIKeyMYACUHLRWJSGCO-UHFFFAOYSA-N
XLogP1.56
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-[4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 139014116
2,3-dihydro-1,4-benzodioxin-6-yl-[4-hydroxy-4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 138997816
[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone
CID 89491755
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304
4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 125424004
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 103719549
(5-fluoro-2-pyridin-4-ylphenyl)-[4-hydroxy-4-[(4-isocyanophenyl)methyl]piperidin-1-yl]methanone
CID 123254660
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
(4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone
CID 89485449
butyl 4-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 118310148
ethyl 4-[1-(pyridin-4-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108976948
1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone
CID 131961692

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate (CID 154766416) is 2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate is O=C(OCCF)N1CCC(O)(Cc2ccncc2)CC1.
What is the InChIKey of 2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate?
The InChIKey is MYACUHLRWJSGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c15-5-10-20-13(18)17-8-3-14(19,4-9-17)11-12-1-6-16-7-2-12/h1-2,6-7,19H,3-5,8-11H2.
What are the key properties of 2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate?
2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate has a molecular weight of 282.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 154766416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).