tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate

C19H29FN4O2 — CID 166459950

IUPACtert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(N2CCC(c3cnc(F)nc3)CC2)C1
InChIInChI=1S/C19H29FN4O2/c1-19(2,3)26-18(25)24-8-4-5-16(13-24)23-9-6-14(7-10-23)15-11-21-17(20)22-12-15/h11-12,14,16H,4-10,13H2,1-3H3
InChIKeyXDBLQDYXGWKTNS-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.19
Rot. Bonds2

About tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate

tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 166459950) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID166459950
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC Nametert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(N2CCC(c3cnc(F)nc3)CC2)C1
InChIInChI=1S/C19H29FN4O2/c1-19(2,3)26-18(25)24-8-4-5-16(13-24)23-9-6-14(7-10-23)15-11-21-17(20)22-12-15/h11-12,14,16H,4-10,13H2,1-3H3
InChIKeyXDBLQDYXGWKTNS-UHFFFAOYSA-N
XLogP3.19
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate (CID 166459950) is tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(N2CCC(c3cnc(F)nc3)CC2)C1.
What is the InChIKey of tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is XDBLQDYXGWKTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O2/c1-19(2,3)26-18(25)24-8-4-5-16(13-24)23-9-6-14(7-10-23)15-11-21-17(20)22-12-15/h11-12,14,16H,4-10,13H2,1-3H3.
What are the key properties of tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate?
tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 364.47 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(2-fluoropyrimidin-5-yl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 166459950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).