piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate

C13H23FN2O3 — CID 125461690

IUPACpiperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C(OCC1CCNCC1)N1CCC(F)(CO)CC1
InChIInChI=1S/C13H23FN2O3/c14-13(10-17)3-7-16(8-4-13)12(18)19-9-11-1-5-15-6-2-11/h11,15,17H,1-10H2
InChIKeyUNCFMPIQHYNDBH-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.92
Rot. Bonds3

About piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate

piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 125461690) has the molecular formula C13H23FN2O3 and a molecular weight of 274.34 g/mol. Its IUPAC name is piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID125461690
Molecular FormulaC13H23FN2O3
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC Namepiperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C(OCC1CCNCC1)N1CCC(F)(CO)CC1
InChIInChI=1S/C13H23FN2O3/c14-13(10-17)3-7-16(8-4-13)12(18)19-9-11-1-5-15-6-2-11/h11,15,17H,1-10H2
InChIKeyUNCFMPIQHYNDBH-UHFFFAOYSA-N
XLogP0.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate (CID 125461690) is piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate is O=C(OCC1CCNCC1)N1CCC(F)(CO)CC1.
What is the InChIKey of piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is UNCFMPIQHYNDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O3/c14-13(10-17)3-7-16(8-4-13)12(18)19-9-11-1-5-15-6-2-11/h11,15,17H,1-10H2.
What are the key properties of piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate?
piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 274.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 125461690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).