methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate

C10H19NO3 — CID 43392874

IUPACmethyl 1-(3-hydroxypropyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCO)CC1
InChIInChI=1S/C10H19NO3/c1-14-10(13)9-3-6-11(7-4-9)5-2-8-12/h9,12H,2-8H2,1H3
InChIKeyJWESSHPBZLMQDB-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.25
Rot. Bonds4

About methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate

methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate (PubChem CID 43392874) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-hydroxypropyl)piperidine-4-carboxylate
PubChem CID43392874
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 1-(3-hydroxypropyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCO)CC1
InChIInChI=1S/C10H19NO3/c1-14-10(13)9-3-6-11(7-4-9)5-2-8-12/h9,12H,2-8H2,1H3
InChIKeyJWESSHPBZLMQDB-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate (CID 43392874) is methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCCO)CC1.
What is the InChIKey of methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate?
The InChIKey is JWESSHPBZLMQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-10(13)9-3-6-11(7-4-9)5-2-8-12/h9,12H,2-8H2,1H3.
What are the key properties of methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate?
methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-hydroxypropyl)piperidine-4-carboxylate is sourced from PubChem (CID 43392874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).