1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone

C18H21NO2 — CID 15374810

IUPAC1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2cc(N3CCC(CO)CC3)ccc2c1
InChIInChI=1S/C18H21NO2/c1-13(21)15-2-3-17-11-18(5-4-16(17)10-15)19-8-6-14(12-20)7-9-19/h2-5,10-11,14,20H,6-9,12H2,1H3
InChIKeyLVJHZRBEPBESKZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.25
Rot. Bonds3

About 1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone

1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone (PubChem CID 15374810) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone
PubChem CID15374810
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2cc(N3CCC(CO)CC3)ccc2c1
InChIInChI=1S/C18H21NO2/c1-13(21)15-2-3-17-11-18(5-4-16(17)10-15)19-8-6-14(12-20)7-9-19/h2-5,10-11,14,20H,6-9,12H2,1H3
InChIKeyLVJHZRBEPBESKZ-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Piperidinoanthraquinone
CID 238958
Apomorphine o-quinone
CID 10015619
Acrylodan
CID 104901
1-(6-(Dimethylamino)-2-naphthalenyl)-1-propanone
CID 107729
3-(4-(Dimethylamino)phenyl)-1'-acrylonaphthone
CID 6163637
1-(6-(Dimethylamino)-2-naphthalenyl)-1-dodecanone
CID 104983
2,2-Bis[4-[2-hydroxyethyl(methyl)amino]phenyl]-1-phenylethanone
CID 3729021
2-((1-phenylpiperidin-4-yl)methyl)-3,4-dihydronaphthalen-1(2H)-one
CID 46889409
2-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-3,4-dihydro-2H-naphthalen-1-one
CID 90645125
3-[4-(Dimethylamino)phenyl]-1-(2-naphthyl)prop-2-en-1-one
CID 5344091
1-acetyl-2,3-dihydrobenzo[g]quinolin-4(1H)-one
CID 2832041
US10280149, Example 172
CID 121479075

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone?
The IUPAC name of 1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone (CID 15374810) is 1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone is CC(=O)c1ccc2cc(N3CCC(CO)CC3)ccc2c1.
What is the InChIKey of 1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone?
The InChIKey is LVJHZRBEPBESKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(21)15-2-3-17-11-18(5-4-16(17)10-15)19-8-6-14(12-20)7-9-19/h2-5,10-11,14,20H,6-9,12H2,1H3.
What are the key properties of 1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone?
1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone has a molecular weight of 283.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(hydroxymethyl)piperidin-1-yl]naphthalen-2-yl]ethanone is sourced from PubChem (CID 15374810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).