4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid

C13H21FN2O2 — CID 172761468

IUPAC4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCCC3(CC3)C2)C(F)C1
InChIInChI=1S/C13H21FN2O2/c14-10-8-15(12(17)18)7-2-11(10)16-6-1-3-13(9-16)4-5-13/h10-11H,1-9H2,(H,17,18)
InChIKeyLSZYIZOWIHCUQR-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.95
Rot. Bonds1

About 4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid

4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid (PubChem CID 172761468) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid
PubChem CID172761468
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCCC3(CC3)C2)C(F)C1
InChIInChI=1S/C13H21FN2O2/c14-10-8-15(12(17)18)7-2-11(10)16-6-1-3-13(9-16)4-5-13/h10-11H,1-9H2,(H,17,18)
InChIKeyLSZYIZOWIHCUQR-UHFFFAOYSA-N
XLogP1.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Tert-butyl-4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid
CID 86644807
Tert-butyl 4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylate
CID 156735131
4-(2-Tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid
CID 161292228
4-(2,2-Difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid
CID 172774326
9-Cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66661079
2-Tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid
CID 68668122
4-(1-Cyclopropylpiperidin-4-yl)piperidine-1-carboxylic acid
CID 69056934
4-(2-Tert-butyl-4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid
CID 69362791
2-Tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid
CID 69362794
2,9-Diazaspiro[5.5]undecane-2,9-dicarboxylic acid
CID 126505930
4-(1,2,2,3,3-Pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid
CID 140504466
4-(2-Tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid
CID 131739763

Frequently Asked Questions

What is the IUPAC name of 4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid (CID 172761468) is 4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid is O=C(O)N1CCC(N2CCCC3(CC3)C2)C(F)C1.
What is the InChIKey of 4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is LSZYIZOWIHCUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c14-10-8-15(12(17)18)7-2-11(10)16-6-1-3-13(9-16)4-5-13/h10-11H,1-9H2,(H,17,18).
What are the key properties of 4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid?
4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 256.32 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 172761468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).