butan-2-yl piperidine-1-carboxylate

C10H19NO2 — CID 127537407

IUPACbutan-2-yl piperidine-1-carboxylate
SMILESCCC(C)OC(=O)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-3-9(2)13-10(12)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3
InChIKeyUAFYIXULPCIKJV-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.41
Rot. Bonds2

About butan-2-yl piperidine-1-carboxylate

butan-2-yl piperidine-1-carboxylate (PubChem CID 127537407) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is butan-2-yl piperidine-1-carboxylate.

Molecular Properties

Compound Namebutan-2-yl piperidine-1-carboxylate
PubChem CID127537407
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namebutan-2-yl piperidine-1-carboxylate
SMILESCCC(C)OC(=O)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-3-9(2)13-10(12)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3
InChIKeyUAFYIXULPCIKJV-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl piperidine-1-carboxylate?
The IUPAC name of butan-2-yl piperidine-1-carboxylate (CID 127537407) is butan-2-yl piperidine-1-carboxylate.
What is the SMILES notation for butan-2-yl piperidine-1-carboxylate?
The canonical SMILES for butan-2-yl piperidine-1-carboxylate is CCC(C)OC(=O)N1CCCCC1.
What is the InChIKey of butan-2-yl piperidine-1-carboxylate?
The InChIKey is UAFYIXULPCIKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-9(2)13-10(12)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3.
What are the key properties of butan-2-yl piperidine-1-carboxylate?
butan-2-yl piperidine-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl piperidine-1-carboxylate is sourced from PubChem (CID 127537407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).