methyl 3-hydroxypiperidine-1-carboxylate

C7H13NO3 — CID 12752563

IUPACmethyl 3-hydroxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(O)C1
InChIInChI=1S/C7H13NO3/c1-11-7(10)8-4-2-3-6(9)5-8/h6,9H,2-5H2,1H3
InChIKeyWTXSKBFLNOWQNF-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.21
Rot. Bonds

About methyl 3-hydroxypiperidine-1-carboxylate

methyl 3-hydroxypiperidine-1-carboxylate (PubChem CID 12752563) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxypiperidine-1-carboxylate
PubChem CID12752563
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 3-hydroxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(O)C1
InChIInChI=1S/C7H13NO3/c1-11-7(10)8-4-2-3-6(9)5-8/h6,9H,2-5H2,1H3
InChIKeyWTXSKBFLNOWQNF-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-hydroxypiperidine-1-carboxylate 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

1-Boc-3-hydroxypiperidine
CID 545699
tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate
CID 1514399
(R)-1-Boc-3-hydroxypiperidine
CID 1514398
Methyl 4-hydroxypiperidine-1-carboxyl
CID 12654990
Ethyl 4-hydroxypiperidine-1-carboxylate
CID 96394
1-(3-Hydroxypiperidin-1-yl)ethan-1-one
CID 21897030
rel-1,1-Dimethylethyl (3R,4S)-3-hydroxy-4-methyl-1-piperidinecarboxylate
CID 66670433
tert-butyl (3R,5S)-3,5-dihydroxypiperidine-1-carboxylate
CID 67987435
tert-butyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 68438748
Tert-butyl 3-hydroxy-2-methylpiperidine-1-carboxylate
CID 68438749
Tert-butyl cis-3-hydroxy-2-methyl-piperidine-1-carboxylate
CID 68438751
Tert-butyl 3-hydroxy-5-methylpiperidine-1-carboxylate
CID 68440433

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxypiperidine-1-carboxylate?
The IUPAC name of methyl 3-hydroxypiperidine-1-carboxylate (CID 12752563) is methyl 3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for methyl 3-hydroxypiperidine-1-carboxylate is COC(=O)N1CCCC(O)C1.
What is the InChIKey of methyl 3-hydroxypiperidine-1-carboxylate?
The InChIKey is WTXSKBFLNOWQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-7(10)8-4-2-3-6(9)5-8/h6,9H,2-5H2,1H3.
What are the key properties of methyl 3-hydroxypiperidine-1-carboxylate?
methyl 3-hydroxypiperidine-1-carboxylate has a molecular weight of 159.18 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 12752563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).