1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone

C20H32N2O2 — CID 119645678

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone
SMILESCCNCC1CCN(C(=O)Cc2ccc(OCC(C)C)cc2)CC1
InChIInChI=1S/C20H32N2O2/c1-4-21-14-18-9-11-22(12-10-18)20(23)13-17-5-7-19(8-6-17)24-15-16(2)3/h5-8,16,18,21H,4,9-15H2,1-3H3
InChIKeyHEUMBWAOXUEHRE-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.11
Rot. Bonds8

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone (PubChem CID 119645678) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone
PubChem CID119645678
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone
SMILESCCNCC1CCN(C(=O)Cc2ccc(OCC(C)C)cc2)CC1
InChIInChI=1S/C20H32N2O2/c1-4-21-14-18-9-11-22(12-10-18)20(23)13-17-5-7-19(8-6-17)24-15-16(2)3/h5-8,16,18,21H,4,9-15H2,1-3H3
InChIKeyHEUMBWAOXUEHRE-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119646554
2-[4-(2-methylpropoxy)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 86896685
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119646509
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119644998
2-[4-(2-methylpropoxy)phenyl]-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997228
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone;hydrochloride
CID 119621601
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 80552385
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone;hydrochloride
CID 91659501
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 119644268

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone (CID 119645678) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone is CCNCC1CCN(C(=O)Cc2ccc(OCC(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone?
The InChIKey is HEUMBWAOXUEHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-4-21-14-18-9-11-22(12-10-18)20(23)13-17-5-7-19(8-6-17)24-15-16(2)3/h5-8,16,18,21H,4,9-15H2,1-3H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone?
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone has a molecular weight of 332.49 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone is sourced from PubChem (CID 119645678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).