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

C19H23FN4O2 — CID 10269763

IUPAC(4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(COC(=O)N2CCC(CNc3ncc(F)cn3)CC2)cc1
InChIInChI=1S/C19H23FN4O2/c1-14-2-4-16(5-3-14)13-26-19(25)24-8-6-15(7-9-24)10-21-18-22-11-17(20)12-23-18/h2-5,11-12,15H,6-10,13H2,1H3,(H,21,22,23)
InChIKeyYJPXXVRMIJRLOX-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.38
Rot. Bonds5

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

(4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 10269763) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
PubChem CID10269763
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name(4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(COC(=O)N2CCC(CNc3ncc(F)cn3)CC2)cc1
InChIInChI=1S/C19H23FN4O2/c1-14-2-4-16(5-3-14)13-26-19(25)24-8-6-15(7-9-24)10-21-18-22-11-17(20)12-23-18/h2-5,11-12,15H,6-10,13H2,1H3,(H,21,22,23)
InChIKeyYJPXXVRMIJRLOX-UHFFFAOYSA-N
XLogP3.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate (CID 10269763) is (4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate is Cc1ccc(COC(=O)N2CCC(CNc3ncc(F)cn3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is YJPXXVRMIJRLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-14-2-4-16(5-3-14)13-26-19(25)24-8-6-15(7-9-24)10-21-18-22-11-17(20)12-23-18/h2-5,11-12,15H,6-10,13H2,1H3,(H,21,22,23).
What are the key properties of (4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate?
(4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10269763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).