methyl 4-hydroxypiperidine-3-carboxylate

C7H13NO3 — CID 13125087

IUPACmethyl 4-hydroxypiperidine-3-carboxylate
SMILESCOC(=O)C1CNCCC1O
InChIInChI=1S/C7H13NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h5-6,8-9H,2-4H2,1H3
InChIKeyKQOGWNKGUKQZHP-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.87
Rot. Bonds1

About methyl 4-hydroxypiperidine-3-carboxylate

methyl 4-hydroxypiperidine-3-carboxylate (PubChem CID 13125087) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 4-hydroxypiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxypiperidine-3-carboxylate
PubChem CID13125087
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 4-hydroxypiperidine-3-carboxylate
SMILESCOC(=O)C1CNCCC1O
InChIInChI=1S/C7H13NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h5-6,8-9H,2-4H2,1H3
InChIKeyKQOGWNKGUKQZHP-UHFFFAOYSA-N
XLogP-0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic Acid
CID 10197830
Methyl 4-oxopiperidine-3-carboxylate hydrochloride
CID 2724028
(3S,4R)-4-hydroxypiperidine-3-carboxylic acid
CID 21125089
4-Hydroxypiperidine-3-carboxylic acid
CID 10261211
3-Piperidinecarboxylic acid, 4-hydroxy-1-methyl-, ethyl ester
CID 216768
rel-(3R,5S)-5-Hydroxypiperidine-3-carboxylic acid
CID 1512569
4-Oxo-piperidine-3-carboxylic acid ethyl ester
CID 107316
4-Hydroxy-3-(methoxycarbonyl)-1,1-dimethylpiperidin-1-ium iodide
CID 3070302
Methyl 5-hydroxypiperidine-3-carboxylate hydrochloride
CID 53429648
(3S,4S)-4-hydroxypiperidine-3-carboxylic acid
CID 44270764
Cis-4-hydroxynipecotic acid
CID 172852
Methyl 4-oxopiperidine-3-carboxylate
CID 2724029

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxypiperidine-3-carboxylate?
The IUPAC name of methyl 4-hydroxypiperidine-3-carboxylate (CID 13125087) is methyl 4-hydroxypiperidine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxypiperidine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxypiperidine-3-carboxylate is COC(=O)C1CNCCC1O.
What is the InChIKey of methyl 4-hydroxypiperidine-3-carboxylate?
The InChIKey is KQOGWNKGUKQZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h5-6,8-9H,2-4H2,1H3.
What are the key properties of methyl 4-hydroxypiperidine-3-carboxylate?
methyl 4-hydroxypiperidine-3-carboxylate has a molecular weight of 159.18 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxypiperidine-3-carboxylate is sourced from PubChem (CID 13125087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).