pentan-2-yl piperidine-2-carboxylate

C11H21NO2 — CID 102982469

IUPACpentan-2-yl piperidine-2-carboxylate
SMILESCCCC(C)OC(=O)C1CCCCN1
InChIInChI=1S/C11H21NO2/c1-3-6-9(2)14-11(13)10-7-4-5-8-12-10/h9-10,12H,3-8H2,1-2H3
InChIKeyFPEMZSQENISUJK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.86
Rot. Bonds4

About pentan-2-yl piperidine-2-carboxylate

pentan-2-yl piperidine-2-carboxylate (PubChem CID 102982469) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is pentan-2-yl piperidine-2-carboxylate.

Molecular Properties

Compound Namepentan-2-yl piperidine-2-carboxylate
PubChem CID102982469
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepentan-2-yl piperidine-2-carboxylate
SMILESCCCC(C)OC(=O)C1CCCCN1
InChIInChI=1S/C11H21NO2/c1-3-6-9(2)14-11(13)10-7-4-5-8-12-10/h9-10,12H,3-8H2,1-2H3
InChIKeyFPEMZSQENISUJK-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze pentan-2-yl piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentan-2-yl azepane-2-carboxylate
CID 102982576
propan-2-yl (2R)-piperidine-2-carboxylate
CID 10197895
tetradecan-7-yl piperidine-2-carboxylate
CID 167096260
1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 103489156
1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate
CID 59049625
propyl piperidine-2-carboxylate
CID 43248024
butyl (2S)-piperidine-2-carboxylate
CID 54130362
(2R)-N-(2-hydroxypentyl)piperidine-2-carboxamide
CID 103811163
2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
CID 103869509
4-butyl-2-(2-butyloctyl)-2-[4-oxo-4-[2-(piperidine-2-carbonyloxy)propoxy]butyl]decanoic acid
CID 170166690
(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060
octyl (2R)-piperidine-2-carboxylate
CID 11096763

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl piperidine-2-carboxylate?
The IUPAC name of pentan-2-yl piperidine-2-carboxylate (CID 102982469) is pentan-2-yl piperidine-2-carboxylate.
What is the SMILES notation for pentan-2-yl piperidine-2-carboxylate?
The canonical SMILES for pentan-2-yl piperidine-2-carboxylate is CCCC(C)OC(=O)C1CCCCN1.
What is the InChIKey of pentan-2-yl piperidine-2-carboxylate?
The InChIKey is FPEMZSQENISUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-6-9(2)14-11(13)10-7-4-5-8-12-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of pentan-2-yl piperidine-2-carboxylate?
pentan-2-yl piperidine-2-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl piperidine-2-carboxylate is sourced from PubChem (CID 102982469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).