1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone

C14H20N2O2 — CID 79868676

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
SMILESCC1CN(C(=O)Cc2ccc(O)cc2)CCC1N
InChIInChI=1S/C14H20N2O2/c1-10-9-16(7-6-13(10)15)14(18)8-11-2-4-12(17)5-3-11/h2-5,10,13,17H,6-9,15H2,1H3
InChIKeyPFIJTXZHBKXGTD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.13
Rot. Bonds2

About 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone

1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone (PubChem CID 79868676) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
PubChem CID79868676
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
SMILESCC1CN(C(=O)Cc2ccc(O)cc2)CCC1N
InChIInChI=1S/C14H20N2O2/c1-10-9-16(7-6-13(10)15)14(18)8-11-2-4-12(17)5-3-11/h2-5,10,13,17H,6-9,15H2,1H3
InChIKeyPFIJTXZHBKXGTD-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 119260936
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanone;hydrochloride
CID 119260933
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119260930
2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
CID 119592490

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone (CID 79868676) is 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone is CC1CN(C(=O)Cc2ccc(O)cc2)CCC1N.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone?
The InChIKey is PFIJTXZHBKXGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-9-16(7-6-13(10)15)14(18)8-11-2-4-12(17)5-3-11/h2-5,10,13,17H,6-9,15H2,1H3.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone?
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 79868676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).