1-fluorobutyl piperidine-1-carboxylate

C10H18FNO2 — CID 68735520

IUPAC1-fluorobutyl piperidine-1-carboxylate
SMILESCCCC(F)OC(=O)N1CCCCC1
InChIInChI=1S/C10H18FNO2/c1-2-6-9(11)14-10(13)12-7-4-3-5-8-12/h9H,2-8H2,1H3
InChIKeyBDXBCOWNARBLAF-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.70
Rot. Bonds3

About 1-fluorobutyl piperidine-1-carboxylate

1-fluorobutyl piperidine-1-carboxylate (PubChem CID 68735520) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-fluorobutyl piperidine-1-carboxylate.

Molecular Properties

Compound Name1-fluorobutyl piperidine-1-carboxylate
PubChem CID68735520
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-fluorobutyl piperidine-1-carboxylate
SMILESCCCC(F)OC(=O)N1CCCCC1
InChIInChI=1S/C10H18FNO2/c1-2-6-9(11)14-10(13)12-7-4-3-5-8-12/h9H,2-8H2,1H3
InChIKeyBDXBCOWNARBLAF-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobutyl piperidine-1-carboxylate?
The IUPAC name of 1-fluorobutyl piperidine-1-carboxylate (CID 68735520) is 1-fluorobutyl piperidine-1-carboxylate.
What is the SMILES notation for 1-fluorobutyl piperidine-1-carboxylate?
The canonical SMILES for 1-fluorobutyl piperidine-1-carboxylate is CCCC(F)OC(=O)N1CCCCC1.
What is the InChIKey of 1-fluorobutyl piperidine-1-carboxylate?
The InChIKey is BDXBCOWNARBLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-2-6-9(11)14-10(13)12-7-4-3-5-8-12/h9H,2-8H2,1H3.
What are the key properties of 1-fluorobutyl piperidine-1-carboxylate?
1-fluorobutyl piperidine-1-carboxylate has a molecular weight of 203.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl piperidine-1-carboxylate is sourced from PubChem (CID 68735520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).