1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one

C24H31NO3 — CID 10022740

IUPAC1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1[C@@H](COCc2ccccc2)CCC[C@@H]1COCc1ccccc1
InChIInChI=1S/C24H31NO3/c1-2-24(26)25-22(18-27-16-20-10-5-3-6-11-20)14-9-15-23(25)19-28-17-21-12-7-4-8-13-21/h3-8,10-13,22-23H,2,9,14-19H2,1H3/t22-,23-/m1/s1
InChIKeyAUEDDCXWHDVZHH-DHIUTWEWSA-N
MW381.52 g/mol
LogP4.58
Rot. Bonds9

About 1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one

1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 10022740) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID10022740
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1[C@@H](COCc2ccccc2)CCC[C@@H]1COCc1ccccc1
InChIInChI=1S/C24H31NO3/c1-2-24(26)25-22(18-27-16-20-10-5-3-6-11-20)14-9-15-23(25)19-28-17-21-12-7-4-8-13-21/h3-8,10-13,22-23H,2,9,14-19H2,1H3/t22-,23-/m1/s1
InChIKeyAUEDDCXWHDVZHH-DHIUTWEWSA-N
XLogP4.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]-2-methylpent-4-en-1-one
CID 14788306
benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 11002985
3-methyl-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10755729
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
2-(4-ethoxyphenyl)-1-[4-[(2R)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 100704635
2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 86264501
methyl (2R,3R)-2-cyclohexyl-3-(phenylmethoxymethyl)aziridine-1-carboxylate
CID 102080852
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
CID 155211250
2-(2-methylphenoxy)-1-[4-[(2R)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 99983850

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one (CID 10022740) is 1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1[C@@H](COCc2ccccc2)CCC[C@@H]1COCc1ccccc1.
What is the InChIKey of 1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is AUEDDCXWHDVZHH-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H31NO3/c1-2-24(26)25-22(18-27-16-20-10-5-3-6-11-20)14-9-15-23(25)19-28-17-21-12-7-4-8-13-21/h3-8,10-13,22-23H,2,9,14-19H2,1H3/t22-,23-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one?
1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 381.52 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 10022740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).