1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one

C22H27NO — CID 7322462

IUPAC1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H27NO/c1-17-13-18(2)16-23(15-17)22(24)14-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21H,13-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyZSNVWJHVAMJMPI-ROUUACIJSA-N
MW321.46 g/mol
LogP4.71
Rot. Bonds4

About 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one

1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 7322462) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID7322462
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H27NO/c1-17-13-18(2)16-23(15-17)22(24)14-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21H,13-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyZSNVWJHVAMJMPI-ROUUACIJSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 71510684
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-diphenylpropan-1-one
CID 110290192
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119404
2-benzylsulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4114779
1-(3-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119380726
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 60558230
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 40599711
(3S,6R)-6-(dimethylamino)-1-(3,3-diphenylpropanoyl)azepane-3-carboxylic acid
CID 170502354

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one (CID 7322462) is 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one is C[C@H]1C[C@H](C)CN(C(=O)CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is ZSNVWJHVAMJMPI-ROUUACIJSA-N. The full InChI is InChI=1S/C22H27NO/c1-17-13-18(2)16-23(15-17)22(24)14-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21H,13-16H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one?
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 321.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 7322462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).