ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate

C12H21NO3 — CID 139408546

IUPACethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(N2CCC(O)CC2)CCC1
InChIInChI=1S/C12H21NO3/c1-2-16-11(15)12(6-3-7-12)13-8-4-10(14)5-9-13/h10,14H,2-9H2,1H3
InChIKeyQWAAJHZPMQGJJT-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.93
Rot. Bonds3

About ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate

ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate (PubChem CID 139408546) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate
PubChem CID139408546
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(N2CCC(O)CC2)CCC1
InChIInChI=1S/C12H21NO3/c1-2-16-11(15)12(6-3-7-12)13-8-4-10(14)5-9-13/h10,14H,2-9H2,1H3
InChIKeyQWAAJHZPMQGJJT-UHFFFAOYSA-N
XLogP0.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Morpholin-4-yl)cyclobutane-1-carboxylic acid hydrochloride
CID 165951002
1-(Morpholin-4-yl)cyclobutane-1-carboxylic acid
CID 62389657
Ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate
CID 13841720
Ethyl 2-(4-hydroxypiperidin-1-yl)butanoate
CID 64662405
5-(1-Hydroxypropyl)-3,3,4-trimethylmorpholin-2-one
CID 91395256
Methyl 1-(4-hydroxypiperidin-1-YL)cyclopropane-1-carboxylate
CID 118429403
2-(4-Hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl butanoate
CID 129067600
4-(2-Hydroxypropyl)-6-methyl-3-(2-methylpropyl)morpholin-2-one
CID 129239403
3-Butan-2-yl-4-(2-hydroxypropyl)-6-methylmorpholin-2-one
CID 129239434
Methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate
CID 131493878
Ethyl 1-(4-oxopiperidin-1-yl)cyclobutane-1-carboxylate
CID 139408569
Methyl 1-(4-hydroxypiperidin-1-yl)cyclopentane-1-carboxylate
CID 142602903

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate (CID 139408546) is ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate is CCOC(=O)C1(N2CCC(O)CC2)CCC1.
What is the InChIKey of ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate?
The InChIKey is QWAAJHZPMQGJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-16-11(15)12(6-3-7-12)13-8-4-10(14)5-9-13/h10,14H,2-9H2,1H3.
What are the key properties of ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate?
ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylate is sourced from PubChem (CID 139408546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).