1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one

C23H29NO2 — CID 16736134

IUPAC1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one
SMILESO=C1CCN([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc23)CC1
InChIInChI=1S/C23H29NO2/c25-20-12-15-24(16-13-20)22-10-3-4-11-23(22)26-17-14-19-8-5-7-18-6-1-2-9-21(18)19/h1-2,5-9,22-23H,3-4,10-17H2/t22-,23-/m1/s1
InChIKeyWDSLKTFRZQUHDJ-DHIUTWEWSA-N
MW351.49 g/mol
LogP4.38
Rot. Bonds5

About 1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one

1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one (PubChem CID 16736134) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one
PubChem CID16736134
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one
SMILESO=C1CCN([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc23)CC1
InChIInChI=1S/C23H29NO2/c25-20-12-15-24(16-13-20)22-10-3-4-11-23(22)26-17-14-19-8-5-7-18-6-1-2-9-21(18)19/h1-2,5-9,22-23H,3-4,10-17H2/t22-,23-/m1/s1
InChIKeyWDSLKTFRZQUHDJ-DHIUTWEWSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one?
The IUPAC name of 1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one (CID 16736134) is 1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one.
What is the SMILES notation for 1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one?
The canonical SMILES for 1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one is O=C1CCN([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc23)CC1.
What is the InChIKey of 1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one?
The InChIKey is WDSLKTFRZQUHDJ-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H29NO2/c25-20-12-15-24(16-13-20)22-10-3-4-11-23(22)26-17-14-19-8-5-7-18-6-1-2-9-21(18)19/h1-2,5-9,22-23H,3-4,10-17H2/t22-,23-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one?
1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one has a molecular weight of 351.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]piperidin-4-one is sourced from PubChem (CID 16736134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).