(2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one

C20H23NO2 — CID 97270691

IUPAC(2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one
SMILESC[C@@H](O)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C20H23NO2/c1-16(22)19(23)21-14-8-13-20(15-21,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,16,22H,8,13-15H2,1H3/t16-/m1/s1
InChIKeyNMULYQSAZWFHPY-MRXNPFEDSA-N
MW309.41 g/mol
LogP2.98
Rot. Bonds3

About (2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one

(2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one (PubChem CID 97270691) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one
PubChem CID97270691
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one
SMILESC[C@@H](O)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C20H23NO2/c1-16(22)19(23)21-14-8-13-20(15-21,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,16,22H,8,13-15H2,1H3/t16-/m1/s1
InChIKeyNMULYQSAZWFHPY-MRXNPFEDSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 154900068
N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide
CID 72841382
(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 72872127
(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 72916779
(3,3-diphenylpiperidin-1-yl)-(oxan-2-yl)methanone
CID 118773107
(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone
CID 125170830
(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 154900279
(3,3-diphenylpiperidin-1-yl)-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 72918423
(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97128394
5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 72928446
2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119786972
1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 72933718

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one (CID 97270691) is (2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one is C[C@@H](O)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of (2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one?
The InChIKey is NMULYQSAZWFHPY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16(22)19(23)21-14-8-13-20(15-21,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,16,22H,8,13-15H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one?
(2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one has a molecular weight of 309.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 97270691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).