1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one

C22H27NO — CID 40599711

IUPAC1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESC[C@H]1CCC[C@H](C)N1C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO/c1-17-10-9-11-18(2)23(17)22(24)16-21(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-8,12-15,17-18,21H,9-11,16H2,1-2H3/t17-,18-/m0/s1
InChIKeyUALMAMFREKWKOW-ROUUACIJSA-N
MW321.46 g/mol
LogP5.00
Rot. Bonds4

About 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one

1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 40599711) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID40599711
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESC[C@H]1CCC[C@H](C)N1C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO/c1-17-10-9-11-18(2)23(17)22(24)16-21(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-8,12-15,17-18,21H,9-11,16H2,1-2H3/t17-,18-/m0/s1
InChIKeyUALMAMFREKWKOW-ROUUACIJSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355289
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355287
1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one
CID 5143900
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
(4S)-4-amino-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-phenylbutan-1-one
CID 125146304
3-amino-1-(2,6-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 80551725
N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 110757185
N-benzhydryl-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 117068368
1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one
CID 75501620
3-amino-1-(2,6-dimethylazepan-1-yl)-3-phenylpropan-1-one
CID 119951712
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one (CID 40599711) is 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one is C[C@H]1CCC[C@H](C)N1C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is UALMAMFREKWKOW-ROUUACIJSA-N. The full InChI is InChI=1S/C22H27NO/c1-17-10-9-11-18(2)23(17)22(24)16-21(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-8,12-15,17-18,21H,9-11,16H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one?
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 321.46 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 40599711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).