benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate

C18H21FN4O2 — CID 10132254

IUPACbenzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CNc2ncc(F)cn2)CC1
InChIInChI=1S/C18H21FN4O2/c19-16-11-21-17(22-12-16)20-10-14-6-8-23(9-7-14)18(24)25-13-15-4-2-1-3-5-15/h1-5,11-12,14H,6-10,13H2,(H,20,21,22)
InChIKeyURRZRARPPRJEEK-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.08
Rot. Bonds5

About benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate

benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 10132254) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
PubChem CID10132254
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Namebenzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CNc2ncc(F)cn2)CC1
InChIInChI=1S/C18H21FN4O2/c19-16-11-21-17(22-12-16)20-10-14-6-8-23(9-7-14)18(24)25-13-15-4-2-1-3-5-15/h1-5,11-12,14H,6-10,13H2,(H,20,21,22)
InChIKeyURRZRARPPRJEEK-UHFFFAOYSA-N
XLogP3.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate (CID 10132254) is benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(CNc2ncc(F)cn2)CC1.
What is the InChIKey of benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is URRZRARPPRJEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-16-11-21-17(22-12-16)20-10-14-6-8-23(9-7-14)18(24)25-13-15-4-2-1-3-5-15/h1-5,11-12,14H,6-10,13H2,(H,20,21,22).
What are the key properties of benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate?
benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10132254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).