methyl acetate;piperidine;hydrochloride

C8H18ClNO2 — CID 157161388

IUPACmethyl acetate;piperidine;hydrochloride
SMILESC1CCNCC1.COC(C)=O.Cl
InChIInChI=1S/C5H11N.C3H6O2.ClH/c1-2-4-6-5-3-1;1-3(4)5-2;/h6H,1-5H2;1-2H3;1H
InChIKeyAMKLJWWAZZFUPO-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.36
Rot. Bonds

About methyl acetate;piperidine;hydrochloride

methyl acetate;piperidine;hydrochloride (PubChem CID 157161388) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is methyl acetate;piperidine;hydrochloride.

Molecular Properties

Compound Namemethyl acetate;piperidine;hydrochloride
PubChem CID157161388
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Namemethyl acetate;piperidine;hydrochloride
SMILESC1CCNCC1.COC(C)=O.Cl
InChIInChI=1S/C5H11N.C3H6O2.ClH/c1-2-4-6-5-3-1;1-3(4)5-2;/h6H,1-5H2;1-2H3;1H
InChIKeyAMKLJWWAZZFUPO-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl acetate;piperidine;hydrochloride?
The IUPAC name of methyl acetate;piperidine;hydrochloride (CID 157161388) is methyl acetate;piperidine;hydrochloride.
What is the SMILES notation for methyl acetate;piperidine;hydrochloride?
The canonical SMILES for methyl acetate;piperidine;hydrochloride is C1CCNCC1.COC(C)=O.Cl.
What is the InChIKey of methyl acetate;piperidine;hydrochloride?
The InChIKey is AMKLJWWAZZFUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H6O2.ClH/c1-2-4-6-5-3-1;1-3(4)5-2;/h6H,1-5H2;1-2H3;1H.
What are the key properties of methyl acetate;piperidine;hydrochloride?
methyl acetate;piperidine;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl acetate;piperidine;hydrochloride is sourced from PubChem (CID 157161388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).