(2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one

C21H32N2O3 — CID 29085394

IUPAC(2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCC(CO)(CCc2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C21H32N2O3/c1-18(22-13-15-26-16-14-22)20(25)23-11-9-21(17-24,10-12-23)8-7-19-5-3-2-4-6-19/h2-6,18,24H,7-17H2,1H3/t18-/m1/s1
InChIKeyUYPITIPVNFWPBW-GOSISDBHSA-N
MW360.50 g/mol
LogP1.94
Rot. Bonds6

About (2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one

(2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 29085394) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is (2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID29085394
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name(2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCC(CO)(CCc2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C21H32N2O3/c1-18(22-13-15-26-16-14-22)20(25)23-11-9-21(17-24,10-12-23)8-7-19-5-3-2-4-6-19/h2-6,18,24H,7-17H2,1H3/t18-/m1/s1
InChIKeyUYPITIPVNFWPBW-GOSISDBHSA-N
XLogP1.94
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 45202488
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 25279824
N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide
CID 86904519
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
(5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 29085018
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one (CID 29085394) is (2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one is C[C@H](C(=O)N1CCC(CO)(CCc2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of (2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is UYPITIPVNFWPBW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-18(22-13-15-26-16-14-22)20(25)23-11-9-21(17-24,10-12-23)8-7-19-5-3-2-4-6-19/h2-6,18,24H,7-17H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
(2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 360.50 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 29085394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).