1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone

C19H35NO2 — CID 97316657

IUPAC1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone
SMILESCCOCC1CCN(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1
InChIInChI=1S/C19H35NO2/c1-5-22-14-16-6-8-20(9-7-16)18(21)11-17-10-15(2)12-19(3,4)13-17/h15-17H,5-14H2,1-4H3/t15-,17-/m0/s1
InChIKeyLNLKYZMCKHYEMN-RDJZCZTQSA-N
MW309.49 g/mol
LogP4.11
Rot. Bonds5

About 1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone

1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone (PubChem CID 97316657) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is 1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone
PubChem CID97316657
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone
SMILESCCOCC1CCN(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1
InChIInChI=1S/C19H35NO2/c1-5-22-14-16-6-8-20(9-7-16)18(21)11-17-10-15(2)12-19(3,4)13-17/h15-17H,5-14H2,1-4H3/t15-,17-/m0/s1
InChIKeyLNLKYZMCKHYEMN-RDJZCZTQSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone with MolForge

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 120817383
2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 121201391
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119639407
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
1-(3-methylpiperazin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone
CID 119580838
4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 121201395
1-(3-methylpiperazin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119580837
1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119493806
2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetic acid
CID 40579133
1-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131909918
3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
CID 165496688
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride
CID 119519416

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone?
The IUPAC name of 1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone (CID 97316657) is 1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone.
What is the SMILES notation for 1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone?
The canonical SMILES for 1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone is CCOCC1CCN(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1.
What is the InChIKey of 1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone?
The InChIKey is LNLKYZMCKHYEMN-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H35NO2/c1-5-22-14-16-6-8-20(9-7-16)18(21)11-17-10-15(2)12-19(3,4)13-17/h15-17H,5-14H2,1-4H3/t15-,17-/m0/s1.
What are the key properties of 1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone?
1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone has a molecular weight of 309.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone is sourced from PubChem (CID 97316657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).