methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate

C9H17NO3 — CID 43509539

IUPACmethyl 1-(2-hydroxyethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCO)CC1
InChIInChI=1S/C9H17NO3/c1-13-9(12)8-2-4-10(5-3-8)6-7-11/h8,11H,2-7H2,1H3
InChIKeyLBMXGNXYBMWVRQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.14
Rot. Bonds3

About methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate

methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate (PubChem CID 43509539) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethyl)piperidine-4-carboxylate
PubChem CID43509539
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 1-(2-hydroxyethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCO)CC1
InChIInChI=1S/C9H17NO3/c1-13-9(12)8-2-4-10(5-3-8)6-7-11/h8,11H,2-7H2,1H3
InChIKeyLBMXGNXYBMWVRQ-UHFFFAOYSA-N
XLogP-0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
CID 74605
Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
2-(4-(Ethoxycarbonyl)piperidin-1-yl)acetic acid
CID 52903749
Methyl 4-carbethoxy-1-piperidineacetate
CID 260383
Piperidinium, 4-carboxy-1,1-dimethyl-, chloride, 2-(diethylamino)ethyl ester, hydrochloride
CID 24842825
1-(2-Hydroxyethyl)piperidine-4-carboxylic acid
CID 85533
Methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate
CID 43392874
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
1-(2-Methoxyethyl)piperidine-4-carboxylic acid hydrochloride
CID 45075032
N-Methylisonipecotic acid, ethyl ester, hydrochloride
CID 52991957

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate (CID 43509539) is methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCO)CC1.
What is the InChIKey of methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate?
The InChIKey is LBMXGNXYBMWVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-9(12)8-2-4-10(5-3-8)6-7-11/h8,11H,2-7H2,1H3.
What are the key properties of methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate?
methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate has a molecular weight of 187.24 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 43509539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).