2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate

C17H24FN3O3 — CID 146142443

IUPAC2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate
SMILESO=C(OCCF)N1CCC(c2nccc(C3CCOCC3)n2)CC1
InChIInChI=1S/C17H24FN3O3/c18-6-12-24-17(22)21-8-2-14(3-9-21)16-19-7-1-15(20-16)13-4-10-23-11-5-13/h1,7,13-14H,2-6,8-12H2
InChIKeyJIWYSYIKCVTQAQ-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.66
Rot. Bonds4

About 2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate

2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate (PubChem CID 146142443) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate
PubChem CID146142443
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate
SMILESO=C(OCCF)N1CCC(c2nccc(C3CCOCC3)n2)CC1
InChIInChI=1S/C17H24FN3O3/c18-6-12-24-17(22)21-8-2-14(3-9-21)16-19-7-1-15(20-16)13-4-10-23-11-5-13/h1,7,13-14H,2-6,8-12H2
InChIKeyJIWYSYIKCVTQAQ-UHFFFAOYSA-N
XLogP2.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate?
The IUPAC name of 2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate (CID 146142443) is 2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for 2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for 2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate is O=C(OCCF)N1CCC(c2nccc(C3CCOCC3)n2)CC1.
What is the InChIKey of 2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate?
The InChIKey is JIWYSYIKCVTQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c18-6-12-24-17(22)21-8-2-14(3-9-21)16-19-7-1-15(20-16)13-4-10-23-11-5-13/h1,7,13-14H,2-6,8-12H2.
What are the key properties of 2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate?
2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 4-[4-(oxan-4-yl)pyrimidin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 146142443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).