1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone

C19H28N2O3 — CID 72841875

IUPAC1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1
InChIInChI=1S/C19H28N2O3/c22-15-18-10-17(12-20-6-8-24-9-7-20)13-21(14-18)19(23)11-16-4-2-1-3-5-16/h1-5,17-18,22H,6-15H2/t17-,18-/m1/s1
InChIKeyIRLMAXMDGJMPLM-QZTJIDSGSA-N
MW332.44 g/mol
LogP1.02
Rot. Bonds5

About 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone

1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 72841875) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
PubChem CID72841875
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1
InChIInChI=1S/C19H28N2O3/c22-15-18-10-17(12-20-6-8-24-9-7-20)13-21(14-18)19(23)11-16-4-2-1-3-5-16/h1-5,17-18,22H,6-15H2/t17-,18-/m1/s1
InChIKeyIRLMAXMDGJMPLM-QZTJIDSGSA-N
XLogP1.02
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 156603708
1-[3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-3-methylsulfonylpropan-1-one
CID 156603588
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S,5S)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 164630313
[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 72837140
2,3-dihydro-1H-inden-5-yl-[(3R,5S)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 133111199
1-[(3S,5S)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 133127611
1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-4-(tetrazol-1-yl)butan-1-one
CID 72937526
2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 78085563
1-[(3S,5S)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 133136030
[(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
CID 133120430
[(3S,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 154899111

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone (CID 72841875) is 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1C[C@H](CO)C[C@H](CN2CCOCC2)C1.
What is the InChIKey of 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is IRLMAXMDGJMPLM-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-15-18-10-17(12-20-6-8-24-9-7-20)13-21(14-18)19(23)11-16-4-2-1-3-5-16/h1-5,17-18,22H,6-15H2/t17-,18-/m1/s1.
What are the key properties of 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone?
1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 332.44 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 72841875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).