ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate

C12H23NO3 — CID 81339381

IUPACethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(C)(C)O)C1
InChIInChI=1S/C12H23NO3/c1-4-16-11(14)10-6-5-7-13(8-10)9-12(2,3)15/h10,15H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyBLCJSBSFBALTLO-SNVBAGLBSA-N
MW229.32 g/mol
LogP1.03
Rot. Bonds4

About ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate

ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate (PubChem CID 81339381) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
PubChem CID81339381
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(C)(C)O)C1
InChIInChI=1S/C12H23NO3/c1-4-16-11(14)10-6-5-7-13(8-10)9-12(2,3)15/h10,15H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyBLCJSBSFBALTLO-SNVBAGLBSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
CID 79316103
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 78946871
ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate
CID 60886735
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate
CID 103785584
ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate
CID 71096303
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
ethyl 1-(4,4-dimethylpent-2-ynyl)piperidine-3-carboxylate
CID 114190411
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
CID 113246394
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate (CID 81339381) is ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CC(C)(C)O)C1.
What is the InChIKey of ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate?
The InChIKey is BLCJSBSFBALTLO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-16-11(14)10-6-5-7-13(8-10)9-12(2,3)15/h10,15H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate?
ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate is sourced from PubChem (CID 81339381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).