ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate

C11H21NO3 — CID 115538768

IUPACethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CC(C)O
InChIInChI=1S/C11H21NO3/c1-3-15-11(14)10-6-4-5-7-12(10)8-9(2)13/h9-10,13H,3-8H2,1-2H3
InChIKeyIXDMCAKJPBQCDM-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.78
Rot. Bonds4

About ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate

ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate (PubChem CID 115538768) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
PubChem CID115538768
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CC(C)O
InChIInChI=1S/C11H21NO3/c1-3-15-11(14)10-6-4-5-7-12(10)8-9(2)13/h9-10,13H,3-8H2,1-2H3
InChIKeyIXDMCAKJPBQCDM-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(3-chloro-2-hydroxypropyl)piperidine-2-carboxylate
CID 112561825
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-2-carboxylate
CID 115538704
ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate
CID 115539031
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
ethyl 1-but-2-ynylpiperidine-2-carboxylate
CID 79006426
ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
CID 78915222
ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
CID 66037356
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280651
ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
CID 78994229

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate (CID 115538768) is ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1CC(C)O.
What is the InChIKey of ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate?
The InChIKey is IXDMCAKJPBQCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-11(14)10-6-4-5-7-12(10)8-9(2)13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate?
ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate is sourced from PubChem (CID 115538768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).