[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone

C14H20N2O2 — CID 63254989

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1ccccc1O
InChIInChI=1S/C14H20N2O2/c1-10(15)12-7-4-5-9-16(12)14(18)11-6-2-3-8-13(11)17/h2-3,6,8,10,12,17H,4-5,7,9,15H2,1H3
InChIKeyGESMRRCRVQUIPA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.73
Rot. Bonds2

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

[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 63254989) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID63254989
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1ccccc1O
InChIInChI=1S/C14H20N2O2/c1-10(15)12-7-4-5-9-16(12)14(18)11-6-2-3-8-13(11)17/h2-3,6,8,10,12,17H,4-5,7,9,15H2,1H3
InChIKeyGESMRRCRVQUIPA-UHFFFAOYSA-N
XLogP1.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 55168583
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
CID 119435517
[2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443198
[2-(1-aminoethyl)piperidin-1-yl]-(2,3-difluorophenyl)methanone;hydrochloride
CID 119437459
[2-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015847
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone
CID 124569507
[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119436418
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-methylphenyl)methanone;hydrochloride
CID 119435193

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone (CID 63254989) is [2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone is CC(N)C1CCCCN1C(=O)c1ccccc1O.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is GESMRRCRVQUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(15)12-7-4-5-9-16(12)14(18)11-6-2-3-8-13(11)17/h2-3,6,8,10,12,17H,4-5,7,9,15H2,1H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 63254989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).