tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate

C12H23NO3 — CID 115037342

IUPACtert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate
SMILESCN1CCCC(O)(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H23NO3/c1-11(2,3)16-10(14)8-12(15)6-5-7-13(4)9-12/h15H,5-9H2,1-4H3
InChIKeyBXANAJPKYFGMTG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.17
Rot. Bonds2

About tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate

tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate (PubChem CID 115037342) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate
PubChem CID115037342
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate
SMILESCN1CCCC(O)(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H23NO3/c1-11(2,3)16-10(14)8-12(15)6-5-7-13(4)9-12/h15H,5-9H2,1-4H3
InChIKeyBXANAJPKYFGMTG-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
tert-butyl 3-(1-hydroxycyclobutyl)propanoate
CID 10910542
(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 2-[1-(4-amino-2-fluorophenyl)-4-hydroxyazepan-4-yl]acetate
CID 156505867
tert-butyl 2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)acetate
CID 45357691
tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate
CID 11298617
tert-butyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate;ethane
CID 177011643
2-[1-[2-(3-hydroxy-1-methylpiperidin-3-yl)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-2-methylpropanoic acid
CID 166275616
tert-butyl 3-(4,4-dimethylazepan-1-yl)propanoate
CID 113241454
tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate
CID 115750820

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate?
The IUPAC name of tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate (CID 115037342) is tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate is CN1CCCC(O)(CC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate?
The InChIKey is BXANAJPKYFGMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,3)16-10(14)8-12(15)6-5-7-13(4)9-12/h15H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate?
tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate has a molecular weight of 229.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate is sourced from PubChem (CID 115037342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).