tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate

C15H23FN4O2 — CID 66799308

IUPACtert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCC(C)(C)OC(=O)N(C)C1CCN(CC1)C2=NC=NC=C2F
InChIInChI=1S/C15H23FN4O2/c1-15(2,3)22-14(21)19(4)11-5-7-20(8-6-11)13-12(16)9-17-10-18-13/h9-11H,5-8H2,1-4H3
InChIKeyYEQPQOITVHHEJT-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.20
Rot. Bonds4

About tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 66799308) has the molecular formula C15H23FN4O2 and a molecular weight of 310.37 g/mol. Its IUPAC name is tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
PubChem CID66799308
Molecular FormulaC15H23FN4O2
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Nametert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCC(C)(C)OC(=O)N(C)C1CCN(CC1)C2=NC=NC=C2F
InChIInChI=1S/C15H23FN4O2/c1-15(2,3)22-14(21)19(4)11-5-7-20(8-6-11)13-12(16)9-17-10-18-13/h9-11H,5-8H2,1-4H3
InChIKeyYEQPQOITVHHEJT-UHFFFAOYSA-N
XLogP2.20
TPSA58.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity380

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate
CID 49857006
Tert-butyl 4-{[(2-chloropyrimidin-4-yl)(methyl)amino]methyl}piperidine-1-carboxylate
CID 71647831
Tert-butyl 4-(5-bromopyrimidin-2-yl)piperidine-1-carboxylate
CID 133553044
2-Butoxy-5-fluoro-4-piperidin-1-ylpyrimidine
CID 174668818
tert-Butyl 4-((2-chloropyrimidin-4-yl)amino)piperidine-1-carboxylate
CID 22309647
Carbamic acid, N-(1-(2-chloro-5-fluoro-4-pyrimidinyl)-4-piperidinyl)-, 1,1-dimethylethyl ester
CID 56763778
t-Butyl 1-(5-fluoro-2-(methylthio)pyrimidin-4-yl)piperidin-4-ylcarbamate
CID 129853752
tert-butyl (3S,5R)-3,5-dimethyl-4-(pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 100617259
Ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
CID 10264288
tert-butyl (1S,4S)-5-(5-fluoropyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 15729881
Tert-butyl 1'-(2-chloro-5-fluoropyrimidin-4-yl)-4,4'-bipiperidine-1-carboxylate
CID 24959603
Tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24959968

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate (CID 66799308) is tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate is CC(C)(C)OC(=O)N(C)C1CCN(CC1)C2=NC=NC=C2F.
What is the InChIKey of tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is YEQPQOITVHHEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O2/c1-15(2,3)22-14(21)19(4)11-5-7-20(8-6-11)13-12(16)9-17-10-18-13/h9-11H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 310.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 66799308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).