1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone

C14H20N2O2 — CID 113423185

IUPAC1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(CO)CC2)cc1N
InChIInChI=1S/C14H20N2O2/c1-10(18)13-3-2-12(8-14(13)15)16-6-4-11(9-17)5-7-16/h2-3,8,11,17H,4-7,9,15H2,1H3
InChIKeyOKTDRCGVZUGMHW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.68
Rot. Bonds3

About 1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone

1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone (PubChem CID 113423185) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
PubChem CID113423185
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(CO)CC2)cc1N
InChIInChI=1S/C14H20N2O2/c1-10(18)13-3-2-12(8-14(13)15)16-6-4-11(9-17)5-7-16/h2-3,8,11,17H,4-7,9,15H2,1H3
InChIKeyOKTDRCGVZUGMHW-UHFFFAOYSA-N
XLogP1.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 104528170
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 60990150
1-[2-amino-4-(4-methylazepan-1-yl)phenyl]ethanone
CID 104528853
4-[4-(hydroxymethyl)piperidin-1-yl]-2-methylbenzoic acid
CID 113400000
1-[2-amino-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanone
CID 104529165
1-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-nitrophenyl]ethanone
CID 104613497
1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
CID 70180295
1-[2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanone
CID 104528796
1-[2-amino-4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanone
CID 113423171
1-[2-amino-4-(3,5-dimethylpiperazin-1-yl)phenyl]ethanone
CID 69195971
1-[2-amino-4-(2-methylmorpholin-4-yl)phenyl]ethanone
CID 104528165
1-[2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanone
CID 104528817

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone (CID 113423185) is 1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCC(CO)CC2)cc1N.
What is the InChIKey of 1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone?
The InChIKey is OKTDRCGVZUGMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(18)13-3-2-12(8-14(13)15)16-6-4-11(9-17)5-7-16/h2-3,8,11,17H,4-7,9,15H2,1H3.
What are the key properties of 1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone?
1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 113423185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).