ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate

C12H23NO3 — CID 19748294

IUPACethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CCCCO)CC1
InChIInChI=1S/C12H23NO3/c1-2-16-12(15)13-8-6-11(7-9-13)5-3-4-10-14/h11,14H,2-10H2,1H3
InChIKeyYRCQFIFDSGTRCA-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.02
Rot. Bonds5

About ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate

ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate (PubChem CID 19748294) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
PubChem CID19748294
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CCCCO)CC1
InChIInChI=1S/C12H23NO3/c1-2-16-12(15)13-8-6-11(7-9-13)5-3-4-10-14/h11,14H,2-10H2,1H3
InChIKeyYRCQFIFDSGTRCA-UHFFFAOYSA-N
XLogP2.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(4-hydroxybutyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate (CID 19748294) is ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(CCCCO)CC1.
What is the InChIKey of ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate?
The InChIKey is YRCQFIFDSGTRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-16-12(15)13-8-6-11(7-9-13)5-3-4-10-14/h11,14H,2-10H2,1H3.
What are the key properties of ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate?
ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate is sourced from PubChem (CID 19748294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).