3,3-dimethylbutyl (3R)-piperidine-3-carboxylate

C12H23NO2 — CID 81119867

IUPAC3,3-dimethylbutyl (3R)-piperidine-3-carboxylate
SMILESCC(C)(C)CCOC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)6-8-15-11(14)10-5-4-7-13-9-10/h10,13H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyOQFDXOHTEDLFSL-SNVBAGLBSA-N
MW213.32 g/mol
LogP1.97
Rot. Bonds3

About 3,3-dimethylbutyl (3R)-piperidine-3-carboxylate

3,3-dimethylbutyl (3R)-piperidine-3-carboxylate (PubChem CID 81119867) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3,3-dimethylbutyl (3R)-piperidine-3-carboxylate.

Molecular Properties

Compound Name3,3-dimethylbutyl (3R)-piperidine-3-carboxylate
PubChem CID81119867
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3,3-dimethylbutyl (3R)-piperidine-3-carboxylate
SMILESCC(C)(C)CCOC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)6-8-15-11(14)10-5-4-7-13-9-10/h10,13H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyOQFDXOHTEDLFSL-SNVBAGLBSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropylethyl (3R)-piperidine-3-carboxylate
CID 106202694
2-[2-(2-methoxyethoxy)ethoxy]ethyl piperidine-3-carboxylate
CID 104563241
heptyl piperidine-3-carboxylate
CID 13360541
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
(1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate
CID 66760874
2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate
CID 112588197
3,3-dimethylbutyl 2-methylpiperidine-4-carboxylate
CID 106743813
bismuthane;carbamodithioic acid;ethyl piperidine-3-carboxylate
CID 174731342
ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid
CID 141098708
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate
CID 14183616
N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide
CID 115159936

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutyl (3R)-piperidine-3-carboxylate?
The IUPAC name of 3,3-dimethylbutyl (3R)-piperidine-3-carboxylate (CID 81119867) is 3,3-dimethylbutyl (3R)-piperidine-3-carboxylate.
What is the SMILES notation for 3,3-dimethylbutyl (3R)-piperidine-3-carboxylate?
The canonical SMILES for 3,3-dimethylbutyl (3R)-piperidine-3-carboxylate is CC(C)(C)CCOC(=O)[C@@H]1CCCNC1.
What is the InChIKey of 3,3-dimethylbutyl (3R)-piperidine-3-carboxylate?
The InChIKey is OQFDXOHTEDLFSL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)6-8-15-11(14)10-5-4-7-13-9-10/h10,13H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 3,3-dimethylbutyl (3R)-piperidine-3-carboxylate?
3,3-dimethylbutyl (3R)-piperidine-3-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutyl (3R)-piperidine-3-carboxylate is sourced from PubChem (CID 81119867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).