1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone

C17H26N2O2 — CID 119517242

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone
SMILESCCc1ccc(OCC(=O)N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-14-4-6-16(7-5-14)21-12-17(20)19-10-8-15(9-11-19)13(2)18/h4-7,13,15H,3,8-12,18H2,1-2H3
InChIKeyMMHFCBNUQKNICR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.21
Rot. Bonds5

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone (PubChem CID 119517242) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone
PubChem CID119517242
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone
SMILESCCc1ccc(OCC(=O)N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-14-4-6-16(7-5-14)21-12-17(20)19-10-8-15(9-11-19)13(2)18/h4-7,13,15H,3,8-12,18H2,1-2H3
InChIKeyMMHFCBNUQKNICR-UHFFFAOYSA-N
XLogP2.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 112630530
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 119519137
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chloro-4-fluorophenoxy)ethanone;hydrochloride
CID 119518644
2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone
CID 143724139
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone;hydrochloride
CID 119622083
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119517254
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride
CID 119518980
2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 55573955
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119631366

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone (CID 119517242) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone is CCc1ccc(OCC(=O)N2CCC(C(C)N)CC2)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone?
The InChIKey is MMHFCBNUQKNICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-14-4-6-16(7-5-14)21-12-17(20)19-10-8-15(9-11-19)13(2)18/h4-7,13,15H,3,8-12,18H2,1-2H3.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone is sourced from PubChem (CID 119517242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).