4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one

C16H23NO2 — CID 14219251

IUPAC4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one
SMILESCN(C)CCC1(c2ccc(O)cc2)CCC(=O)CC1
InChIInChI=1S/C16H23NO2/c1-17(2)12-11-16(9-7-15(19)8-10-16)13-3-5-14(18)6-4-13/h3-6,18H,7-12H2,1-2H3
InChIKeyJKAPXMKAOLCRPY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.72
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one

4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one (PubChem CID 14219251) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one
PubChem CID14219251
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one
SMILESCN(C)CCC1(c2ccc(O)cc2)CCC(=O)CC1
InChIInChI=1S/C16H23NO2/c1-17(2)12-11-16(9-7-15(19)8-10-16)13-3-5-14(18)6-4-13/h3-6,18H,7-12H2,1-2H3
InChIKeyJKAPXMKAOLCRPY-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one (CID 14219251) is 4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one is CN(C)CCC1(c2ccc(O)cc2)CCC(=O)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one?
The InChIKey is JKAPXMKAOLCRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17(2)12-11-16(9-7-15(19)8-10-16)13-3-5-14(18)6-4-13/h3-6,18H,7-12H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one?
4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 14219251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).