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

C15H22N2O2 — CID 63255198

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
SMILESCC(N)C1CCCCN1C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C15H22N2O2/c1-11(16)14-4-2-3-9-17(14)15(19)10-12-5-7-13(18)8-6-12/h5-8,11,14,18H,2-4,9-10,16H2,1H3
InChIKeyYXFHMHPEQQJTQF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.66
Rot. Bonds3

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

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone (PubChem CID 63255198) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
PubChem CID63255198
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
SMILESCC(N)C1CCCCN1C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C15H22N2O2/c1-11(16)14-4-2-3-9-17(14)15(19)10-12-5-7-13(18)8-6-12/h5-8,11,14,18H,2-4,9-10,16H2,1H3
InChIKeyYXFHMHPEQQJTQF-UHFFFAOYSA-N
XLogP1.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone (CID 63255198) is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone is CC(N)C1CCCCN1C(=O)Cc1ccc(O)cc1.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
The InChIKey is YXFHMHPEQQJTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(16)14-4-2-3-9-17(14)15(19)10-12-5-7-13(18)8-6-12/h5-8,11,14,18H,2-4,9-10,16H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 63255198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).