ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate

C13H25NO3 — CID 62227280

IUPACethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCCCCO)CC1
InChIInChI=1S/C13H25NO3/c1-2-17-13(16)12-6-9-14(10-7-12)8-4-3-5-11-15/h12,15H,2-11H2,1H3
InChIKeyKYKZICQEWCXEAL-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.42
Rot. Bonds7

About ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate

ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate (PubChem CID 62227280) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate
PubChem CID62227280
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCCCCO)CC1
InChIInChI=1S/C13H25NO3/c1-2-17-13(16)12-6-9-14(10-7-12)8-4-3-5-11-15/h12,15H,2-11H2,1H3
InChIKeyKYKZICQEWCXEAL-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate (CID 62227280) is ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CCCCCO)CC1.
What is the InChIKey of ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate?
The InChIKey is KYKZICQEWCXEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-17-13(16)12-6-9-14(10-7-12)8-4-3-5-11-15/h12,15H,2-11H2,1H3.
What are the key properties of ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate?
ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate is sourced from PubChem (CID 62227280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).