1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone

C18H21NO2 — CID 80702768

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
SMILESCC1(O)CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C18H21NO2/c1-18(21)9-11-19(12-10-18)17(20)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,21H,9-13H2,1H3
InChIKeyZGDLZZJLRFFBSH-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.76
Rot. Bonds2

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone (PubChem CID 80702768) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
PubChem CID80702768
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
SMILESCC1(O)CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C18H21NO2/c1-18(21)9-11-19(12-10-18)17(20)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,21H,9-13H2,1H3
InChIKeyZGDLZZJLRFFBSH-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 90510652
2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727404
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 7921209
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone
CID 54048280
2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707439
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 20969017
2-[2-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 81322025
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 90533764

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone (CID 80702768) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone is CC1(O)CCN(C(=O)Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone?
The InChIKey is ZGDLZZJLRFFBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(21)9-11-19(12-10-18)17(20)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,21H,9-13H2,1H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone?
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone has a molecular weight of 283.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 80702768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).