piperidin-4-ylmethyl acetate;hydrochloride

C8H16ClNO2 — CID 53410152

IUPACpiperidin-4-ylmethyl acetate;hydrochloride
SMILESCC(=O)OCC1CCNCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-7(10)11-6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3;1H
InChIKeyWDWKKUOFGNRRBR-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.97
Rot. Bonds2

About piperidin-4-ylmethyl acetate;hydrochloride

piperidin-4-ylmethyl acetate;hydrochloride (PubChem CID 53410152) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is piperidin-4-ylmethyl acetate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-ylmethyl acetate;hydrochloride
PubChem CID53410152
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namepiperidin-4-ylmethyl acetate;hydrochloride
SMILESCC(=O)OCC1CCNCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-7(10)11-6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3;1H
InChIKeyWDWKKUOFGNRRBR-UHFFFAOYSA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl acetate;hydrochloride?
The IUPAC name of piperidin-4-ylmethyl acetate;hydrochloride (CID 53410152) is piperidin-4-ylmethyl acetate;hydrochloride.
What is the SMILES notation for piperidin-4-ylmethyl acetate;hydrochloride?
The canonical SMILES for piperidin-4-ylmethyl acetate;hydrochloride is CC(=O)OCC1CCNCC1.Cl.
What is the InChIKey of piperidin-4-ylmethyl acetate;hydrochloride?
The InChIKey is WDWKKUOFGNRRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-7(10)11-6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3;1H.
What are the key properties of piperidin-4-ylmethyl acetate;hydrochloride?
piperidin-4-ylmethyl acetate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl acetate;hydrochloride is sourced from PubChem (CID 53410152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).