ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate

C12H23NO3 — CID 60886735

IUPACethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C12H23NO3/c1-4-16-11(14)10-5-7-13(8-6-10)9-12(2,3)15/h10,15H,4-9H2,1-3H3
InChIKeyLTBKBJXHCPSCHQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.03
Rot. Bonds4

About ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate

ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate (PubChem CID 60886735) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate
PubChem CID60886735
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C12H23NO3/c1-4-16-11(14)10-5-7-13(8-6-10)9-12(2,3)15/h10,15H,4-9H2,1-3H3
InChIKeyLTBKBJXHCPSCHQ-UHFFFAOYSA-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 (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 81339381
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-[4-amino-3-(aminomethyl)-3-methylbutyl]piperidine-4-carboxylate
CID 123231259
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 59334005
5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
CID 118951815
ethyl 1-(cyanomethyl)piperidine-4-carboxylate
CID 20754608
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate (CID 60886735) is ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(C)(C)O)CC1.
What is the InChIKey of ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate?
The InChIKey is LTBKBJXHCPSCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-16-11(14)10-5-7-13(8-6-10)9-12(2,3)15/h10,15H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate?
ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-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 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate is sourced from PubChem (CID 60886735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).