propyl piperidine-2-carboxylate

C9H17NO2 — CID 43248024

IUPACpropyl piperidine-2-carboxylate
SMILESCCCOC(=O)C1CCCCN1
InChIInChI=1S/C9H17NO2/c1-2-7-12-9(11)8-5-3-4-6-10-8/h8,10H,2-7H2,1H3
InChIKeyCGDLELKSYAEMLJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds3

About propyl piperidine-2-carboxylate

propyl piperidine-2-carboxylate (PubChem CID 43248024) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is propyl piperidine-2-carboxylate.

Molecular Properties

Compound Namepropyl piperidine-2-carboxylate
PubChem CID43248024
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namepropyl piperidine-2-carboxylate
SMILESCCCOC(=O)C1CCCCN1
InChIInChI=1S/C9H17NO2/c1-2-7-12-9(11)8-5-3-4-6-10-8/h8,10H,2-7H2,1H3
InChIKeyCGDLELKSYAEMLJ-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl (2S)-piperidine-2-carboxylate
CID 54130362
octyl (2R)-piperidine-2-carboxylate
CID 11096763
hexyl azocane-2-carboxylate
CID 114239843
2-ethoxyethyl piperidine-2-carboxylate
CID 61278011
heptyl pyrrolidine-2-carboxylate
CID 14777077
2-cyclobutylethyl (2S)-piperidine-2-carboxylate
CID 106202846
3-aminopropyl piperidine-2-carboxylate
CID 71376838
aminomethyl piperidine-2-carboxylate
CID 152636457
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
(3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate
CID 106665968
cyanomethyl piperidine-2-carboxylate
CID 141438271
2-cyclopropylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202565

Frequently Asked Questions

What is the IUPAC name of propyl piperidine-2-carboxylate?
The IUPAC name of propyl piperidine-2-carboxylate (CID 43248024) is propyl piperidine-2-carboxylate.
What is the SMILES notation for propyl piperidine-2-carboxylate?
The canonical SMILES for propyl piperidine-2-carboxylate is CCCOC(=O)C1CCCCN1.
What is the InChIKey of propyl piperidine-2-carboxylate?
The InChIKey is CGDLELKSYAEMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-7-12-9(11)8-5-3-4-6-10-8/h8,10H,2-7H2,1H3.
What are the key properties of propyl piperidine-2-carboxylate?
propyl piperidine-2-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl piperidine-2-carboxylate is sourced from PubChem (CID 43248024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).