2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine

C13H20FN3 — CID 176726237

IUPAC2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine
SMILESCC(C)(C)C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C13H20FN3/c1-13(2,3)10-4-6-17(7-5-10)12-15-8-11(14)9-16-12/h8-10H,4-7H2,1-3H3
InChIKeyDYDCIKWSDSHMHC-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.88
Rot. Bonds1

About 2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine

2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine (PubChem CID 176726237) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine
PubChem CID176726237
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine
SMILESCC(C)(C)C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C13H20FN3/c1-13(2,3)10-4-6-17(7-5-10)12-15-8-11(14)9-16-12/h8-10H,4-7H2,1-3H3
InChIKeyDYDCIKWSDSHMHC-UHFFFAOYSA-N
XLogP2.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-Cyclohexyl-butyl)-piperazin-1-yl]-5-fluoro-pyrimidine
CID 15729908
2-Chloro-5-fluoro-4-piperidin-1-ylpyrimidine
CID 2338458
2-Methyl-8-(5-methylpyrimidin-2-YL)-2,8-diazaspiro[5.5]undecane
CID 72936007
1-[(2S,3aR,7aS)-5-(5-fluoropyrimidin-2-yl)-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 98777341
9-(5-Fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
CID 118739083
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
9-(5-Fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739503
2-(2-Ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 118740947
2-[4-(Difluoromethyl)piperidin-1-yl]pyrimidine
CID 126768331
5-Fluoro-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 43822498
5-bromo-2-[(3S)-3-methylpiperidin-1-yl]pyrimidine
CID 71977937
2-[4-(Cyclobutylmethyl)piperazin-1-YL]-5-methylpyrimidine
CID 72903567

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine (CID 176726237) is 2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine is CC(C)(C)C1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine?
The InChIKey is DYDCIKWSDSHMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-13(2,3)10-4-6-17(7-5-10)12-15-8-11(14)9-16-12/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine?
2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine has a molecular weight of 237.32 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 176726237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).