decyl 2-piperidin-1-ylacetate;hydrochloride

C17H34ClNO2 — CID 3047187

IUPACdecyl 2-piperidin-1-ylacetate;hydrochloride
SMILESCCCCCCCCCCOC(=O)CN1CCCCC1.Cl
InChIInChI=1S/C17H33NO2.ClH/c1-2-3-4-5-6-7-8-12-15-20-17(19)16-18-13-10-9-11-14-18;/h2-16H2,1H3;1H
InChIKeyBBSKWVYOJLUXOQ-UHFFFAOYSA-N
MW319.92 g/mol
LogP4.58
Rot. Bonds11

About decyl 2-piperidin-1-ylacetate;hydrochloride

decyl 2-piperidin-1-ylacetate;hydrochloride (PubChem CID 3047187) has the molecular formula C17H34ClNO2 and a molecular weight of 319.92 g/mol. Its IUPAC name is decyl 2-piperidin-1-ylacetate;hydrochloride.

Molecular Properties

Compound Namedecyl 2-piperidin-1-ylacetate;hydrochloride
PubChem CID3047187
Molecular FormulaC17H34ClNO2
Molecular Weight319.92 g/mol
Exact Mass319.23
IUPAC Namedecyl 2-piperidin-1-ylacetate;hydrochloride
SMILESCCCCCCCCCCOC(=O)CN1CCCCC1.Cl
InChIInChI=1S/C17H33NO2.ClH/c1-2-3-4-5-6-7-8-12-15-20-17(19)16-18-13-10-9-11-14-18;/h2-16H2,1H3;1H
InChIKeyBBSKWVYOJLUXOQ-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.92
LogP ≤ 54.58
H-Bond Donors ≤ 50
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 decyl 2-piperidin-1-ylacetate;hydrochloride?
The IUPAC name of decyl 2-piperidin-1-ylacetate;hydrochloride (CID 3047187) is decyl 2-piperidin-1-ylacetate;hydrochloride.
What is the SMILES notation for decyl 2-piperidin-1-ylacetate;hydrochloride?
The canonical SMILES for decyl 2-piperidin-1-ylacetate;hydrochloride is CCCCCCCCCCOC(=O)CN1CCCCC1.Cl.
What is the InChIKey of decyl 2-piperidin-1-ylacetate;hydrochloride?
The InChIKey is BBSKWVYOJLUXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2.ClH/c1-2-3-4-5-6-7-8-12-15-20-17(19)16-18-13-10-9-11-14-18;/h2-16H2,1H3;1H.
What are the key properties of decyl 2-piperidin-1-ylacetate;hydrochloride?
decyl 2-piperidin-1-ylacetate;hydrochloride has a molecular weight of 319.92 g/mol, XLogP of 4.58, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-piperidin-1-ylacetate;hydrochloride is sourced from PubChem (CID 3047187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).