1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride

C15H22ClNO2 — CID 2835938

IUPAC1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride
SMILESCOc1ccc(C(C)=O)cc1CN1CCCCC1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-12(17)13-6-7-15(18-2)14(10-13)11-16-8-4-3-5-9-16;/h6-7,10H,3-5,8-9,11H2,1-2H3;1H
InChIKeyZVNBMRQJEIIYSR-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.31
Rot. Bonds4

About 1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride

1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride (PubChem CID 2835938) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride
PubChem CID2835938
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride
SMILESCOc1ccc(C(C)=O)cc1CN1CCCCC1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-12(17)13-6-7-15(18-2)14(10-13)11-16-8-4-3-5-9-16;/h6-7,10H,3-5,8-9,11H2,1-2H3;1H
InChIKeyZVNBMRQJEIIYSR-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride (CID 2835938) is 1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride is COc1ccc(C(C)=O)cc1CN1CCCCC1.Cl.
What is the InChIKey of 1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride?
The InChIKey is ZVNBMRQJEIIYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-12(17)13-6-7-15(18-2)14(10-13)11-16-8-4-3-5-9-16;/h6-7,10H,3-5,8-9,11H2,1-2H3;1H.
What are the key properties of 1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride?
1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 2835938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).