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

C19H29FN4O3 — CID 59506097

IUPACtert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCN(c3ncc(F)cn3)CC2)CC1
InChIInChI=1S/C19H29FN4O3/c1-19(2,3)27-18(25)24-10-6-16(7-11-24)26-15-4-8-23(9-5-15)17-21-12-14(20)13-22-17/h12-13,15-16H,4-11H2,1-3H3
InChIKeyNEEPJAKKRGJLPE-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.00
Rot. Bonds3

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

tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 59506097) has the molecular formula C19H29FN4O3 and a molecular weight of 380.46 g/mol. Its IUPAC name is tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID59506097
Molecular FormulaC19H29FN4O3
Molecular Weight380.46 g/mol
Exact Mass380.22
IUPAC Nametert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCN(c3ncc(F)cn3)CC2)CC1
InChIInChI=1S/C19H29FN4O3/c1-19(2,3)27-18(25)24-10-6-16(7-11-24)26-15-4-8-23(9-5-15)17-21-12-14(20)13-22-17/h12-13,15-16H,4-11H2,1-3H3
InChIKeyNEEPJAKKRGJLPE-UHFFFAOYSA-N
XLogP3.00
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate (CID 59506097) is tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC2CCN(c3ncc(F)cn3)CC2)CC1.
What is the InChIKey of tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is NEEPJAKKRGJLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O3/c1-19(2,3)27-18(25)24-10-6-16(7-11-24)26-15-4-8-23(9-5-15)17-21-12-14(20)13-22-17/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 380.46 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 59506097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).