4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid

C10H12FN3O3 — CID 91443572

IUPAC4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C10H12FN3O3/c11-7-5-12-9(13-6-7)17-8-1-3-14(4-2-8)10(15)16/h5-6,8H,1-4H2,(H,15,16)
InChIKeyDDSOJYIIETYHBL-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.14
Rot. Bonds2

About 4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid

4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid (PubChem CID 91443572) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid
PubChem CID91443572
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C10H12FN3O3/c11-7-5-12-9(13-6-7)17-8-1-3-14(4-2-8)10(15)16/h5-6,8H,1-4H2,(H,15,16)
InChIKeyDDSOJYIIETYHBL-UHFFFAOYSA-N
XLogP1.14
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 129491157
Ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
CID 10264288
5-Fluoro-2-(piperidin-4-yloxy)pyrimidine
CID 23133629
4-(5-Fluoropyrimidin-2-yl)piperazine-1-carboxylic acid
CID 23149857
Tert-butyl 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 44542264
N-tert-butyl-4-[(5-fluoropyrimidin-2-yl)oxy]piperidine-1-carboxamide
CID 57670242
1-(5-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
CID 57708429
5-Fluoro-2-{[1-(propan-2-yl)piperidin-4-yl]oxy}pyrimidine
CID 59361750
Tert-butyl 3-[[4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidin-1-yl]methyl]azetidine-1-carboxylate
CID 59506093
Tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxypiperidine-1-carboxylate
CID 59506097
4-(4-Amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile
CID 59744038
1-(5-Fluoropyrimidin-2-yl)piperidin-4-ol
CID 60137812

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid (CID 91443572) is 4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is DDSOJYIIETYHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c11-7-5-12-9(13-6-7)17-8-1-3-14(4-2-8)10(15)16/h5-6,8H,1-4H2,(H,15,16).
What are the key properties of 4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid?
4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 241.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 91443572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).