ethyl 7-piperidin-4-ylheptanoate

C14H27NO2 — CID 10800166

IUPACethyl 7-piperidin-4-ylheptanoate
SMILESCCOC(=O)CCCCCCC1CCNCC1
InChIInChI=1S/C14H27NO2/c1-2-17-14(16)8-6-4-3-5-7-13-9-11-15-12-10-13/h13,15H,2-12H2,1H3
InChIKeyKTXDAKWWXDROTF-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds8

About ethyl 7-piperidin-4-ylheptanoate

ethyl 7-piperidin-4-ylheptanoate (PubChem CID 10800166) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 7-piperidin-4-ylheptanoate.

Molecular Properties

Compound Nameethyl 7-piperidin-4-ylheptanoate
PubChem CID10800166
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 7-piperidin-4-ylheptanoate
SMILESCCOC(=O)CCCCCCC1CCNCC1
InChIInChI=1S/C14H27NO2/c1-2-17-14(16)8-6-4-3-5-7-13-9-11-15-12-10-13/h13,15H,2-12H2,1H3
InChIKeyKTXDAKWWXDROTF-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
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 7-piperidin-4-ylheptanoate?
The IUPAC name of ethyl 7-piperidin-4-ylheptanoate (CID 10800166) is ethyl 7-piperidin-4-ylheptanoate.
What is the SMILES notation for ethyl 7-piperidin-4-ylheptanoate?
The canonical SMILES for ethyl 7-piperidin-4-ylheptanoate is CCOC(=O)CCCCCCC1CCNCC1.
What is the InChIKey of ethyl 7-piperidin-4-ylheptanoate?
The InChIKey is KTXDAKWWXDROTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-17-14(16)8-6-4-3-5-7-13-9-11-15-12-10-13/h13,15H,2-12H2,1H3.
What are the key properties of ethyl 7-piperidin-4-ylheptanoate?
ethyl 7-piperidin-4-ylheptanoate has a molecular weight of 241.37 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-piperidin-4-ylheptanoate is sourced from PubChem (CID 10800166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).