1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C18H34N2O2 — CID 133134616

IUPAC1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)N2CC(C)(C)[C@](C)(O)C2)CC(C)(C)N1
InChIInChI=1S/C18H34N2O2/c1-15(2)11-20(12-18(15,7)22)14(21)8-13-9-16(3,4)19-17(5,6)10-13/h13,19,22H,8-12H2,1-7H3/t18-/m1/s1
InChIKeyMEJKPQKZFZHQRZ-GOSISDBHSA-N
MW310.48 g/mol
LogP2.55
Rot. Bonds2

About 1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 133134616) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
PubChem CID133134616
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)N2CC(C)(C)[C@](C)(O)C2)CC(C)(C)N1
InChIInChI=1S/C18H34N2O2/c1-15(2)11-20(12-18(15,7)22)14(21)8-13-9-16(3,4)19-17(5,6)10-13/h13,19,22H,8-12H2,1-7H3/t18-/m1/s1
InChIKeyMEJKPQKZFZHQRZ-GOSISDBHSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxothian-4-yl)-1-(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)ethanone
CID 156607337
1-(4-hydroxyazepan-1-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 131918733
1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 135115085
formic acid;1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 154917926
1,1,1-trifluoro-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
CID 164869646
1-(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone
CID 156603509
formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 154913701
1-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-4-piperidin-1-ylbutan-1-one
CID 72930128
1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 46999292
N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide
CID 87583374
5-[2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 133124600
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (CID 133134616) is 1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is CC1(C)CC(CC(=O)N2CC(C)(C)[C@](C)(O)C2)CC(C)(C)N1.
What is the InChIKey of 1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The InChIKey is MEJKPQKZFZHQRZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-15(2)11-20(12-18(15,7)22)14(21)8-13-9-16(3,4)19-17(5,6)10-13/h13,19,22H,8-12H2,1-7H3/t18-/m1/s1.
What are the key properties of 1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 310.48 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 133134616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).