(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one

C22H27NO3 — CID 7104544

IUPAC(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one
SMILESCCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)NC1c1ccc(OC)cc1
InChIInChI=1S/C22H27NO3/c1-4-5-19-21(24)14-20(15-6-10-17(25-2)11-7-15)23-22(19)16-8-12-18(26-3)13-9-16/h6-13,19-20,22-23H,4-5,14H2,1-3H3/t19-,20-,22?/m0/s1
InChIKeyXVELDBZHBLEZHS-ZDOMSUIMSA-N
MW353.46 g/mol
LogP4.46
Rot. Bonds6

About (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one

(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one (PubChem CID 7104544) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one.

Molecular Properties

Compound Name(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one
PubChem CID7104544
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one
SMILESCCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)NC1c1ccc(OC)cc1
InChIInChI=1S/C22H27NO3/c1-4-5-19-21(24)14-20(15-6-10-17(25-2)11-7-15)23-22(19)16-8-12-18(26-3)13-9-16/h6-13,19-20,22-23H,4-5,14H2,1-3H3/t19-,20-,22?/m0/s1
InChIKeyXVELDBZHBLEZHS-ZDOMSUIMSA-N
XLogP4.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020
3-butyl-2,6-diphenylpiperidin-4-one
CID 13185090
ethyl 2-[(2S,3S,6S)-4-oxo-2,6-diphenylpiperidin-3-yl]acetate
CID 92961114
(2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol
CID 6587283
4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride
CID 2854780
3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one
CID 83247730
N-[2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-ylidene]hydroxylamine
CID 2870022
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one
CID 100836349
2,6-bis(4-bromophenyl)-3-propan-2-ylpiperidin-4-one
CID 4689702
(2R,3S,4R,6S)-2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propylpiperidin-4-ol
CID 41031072
2,6-bis(4-methoxyphenyl)-4-(2-phenylethynyl)-3-propylpiperidin-4-ol;hydrochloride
CID 52998404

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one?
The IUPAC name of (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one (CID 7104544) is (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one.
What is the SMILES notation for (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one?
The canonical SMILES for (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one is CCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)NC1c1ccc(OC)cc1.
What is the InChIKey of (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one?
The InChIKey is XVELDBZHBLEZHS-ZDOMSUIMSA-N. The full InChI is InChI=1S/C22H27NO3/c1-4-5-19-21(24)14-20(15-6-10-17(25-2)11-7-15)23-22(19)16-8-12-18(26-3)13-9-16/h6-13,19-20,22-23H,4-5,14H2,1-3H3/t19-,20-,22?/m0/s1.
What are the key properties of (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one?
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one has a molecular weight of 353.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one is sourced from PubChem (CID 7104544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).