1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one

C22H34N2O2 — CID 51872126

About 1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one

1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 51872126) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 51872126
• Molecular Formula: C22H34N2O2
• Molecular Weight: 358.53 g/mol
• Exact Mass: 358.26
• IUPAC Name: 1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
• SMILES: C[C@H]1CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1
• InChI: InChI=1S/C22H34N2O2/c1-16-7-5-11-23(14-16)15-20(25)18-9-10-19-17(13-18)8-6-12-24(19)21(26)22(2,3)4/h9-10,13,16,20,25H,5-8,11-12,14-15H2,1-4H3/t16-,20-/m0/s1
• InChIKey: ZPEYWJQWUCUFET-JXFKEZNVSA-N
• XLogP: 3.78
• TPSA: 43.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.53
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one (CID 51872126) is 1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one is C[C@H]1CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1.

What is the InChIKey of 1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one?

The InChIKey is ZPEYWJQWUCUFET-JXFKEZNVSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-16-7-5-11-23(14-16)15-20(25)18-9-10-19-17(13-18)8-6-12-24(19)21(26)22(2,3)4/h9-10,13,16,20,25H,5-8,11-12,14-15H2,1-4H3/t16-,20-/m0/s1.

What are the key properties of 1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one?

1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 358.53 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 51872126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).