1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one

C16H24N2O2 — CID 82043331

IUPAC1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
SMILESCCc1ccc(OC(C)C(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-13-4-6-15(7-5-13)20-12(2)16(19)18-10-8-14(17)9-11-18/h4-7,12,14H,3,8-11,17H2,1-2H3
InChIKeyIMPMVSDMJQOZCL-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.97
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one

1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one (PubChem CID 82043331) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
PubChem CID82043331
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
SMILESCCc1ccc(OC(C)C(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-13-4-6-15(7-5-13)20-12(2)16(19)18-10-8-14(17)9-11-18/h4-7,12,14H,3,8-11,17H2,1-2H3
InChIKeyIMPMVSDMJQOZCL-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793784
2-(4-ethylphenoxy)-1-[4-[2-(4-ethylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981285
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
1-[4-(2-chloropropanoyl)piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one
CID 146086073
1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one;hydrochloride
CID 119796866
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one;hydrochloride
CID 119796856
(2S)-2-[4-[(2S)-2-(4-ethylphenoxy)propanoyl]piperazin-1-yl]propanoic acid
CID 124683688
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one
CID 119796851
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one
CID 51704521
2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 111434630
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one
CID 40784143

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one (CID 82043331) is 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one is CCc1ccc(OC(C)C(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one?
The InChIKey is IMPMVSDMJQOZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-13-4-6-15(7-5-13)20-12(2)16(19)18-10-8-14(17)9-11-18/h4-7,12,14H,3,8-11,17H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one?
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one is sourced from PubChem (CID 82043331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).