[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone

C26H34N2O3 — CID 55625282

IUPAC[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESCC1CN(Cc2ccc(C(=O)N3CCC(C(O)c4ccccc4)CC3)cc2)CC(C)O1
InChIInChI=1S/C26H34N2O3/c1-19-16-27(17-20(2)31-19)18-21-8-10-24(11-9-21)26(30)28-14-12-23(13-15-28)25(29)22-6-4-3-5-7-22/h3-11,19-20,23,25,29H,12-18H2,1-2H3
InChIKeyLDGVNYOKTNGHBR-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.88
Rot. Bonds5

About [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone

[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone (PubChem CID 55625282) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
PubChem CID55625282
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESCC1CN(Cc2ccc(C(=O)N3CCC(C(O)c4ccccc4)CC3)cc2)CC(C)O1
InChIInChI=1S/C26H34N2O3/c1-19-16-27(17-20(2)31-19)18-21-8-10-24(11-9-21)26(30)28-14-12-23(13-15-28)25(29)22-6-4-3-5-7-22/h3-11,19-20,23,25,29H,12-18H2,1-2H3
InChIKeyLDGVNYOKTNGHBR-UHFFFAOYSA-N
XLogP3.88
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

N-[4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]acetamide
CID 134023910
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55845372
1-[4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55623264
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540253
1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 74138603
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38482077
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971294
(2S)-2-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-2-phenylacetic acid
CID 124690072
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methanone;dihydrochloride
CID 120746078
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]piperidin-4-yl]methanone
CID 55624694
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 167833927

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone (CID 55625282) is [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone is CC1CN(Cc2ccc(C(=O)N3CCC(C(O)c4ccccc4)CC3)cc2)CC(C)O1.
What is the InChIKey of [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is LDGVNYOKTNGHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-19-16-27(17-20(2)31-19)18-21-8-10-24(11-9-21)26(30)28-14-12-23(13-15-28)25(29)22-6-4-3-5-7-22/h3-11,19-20,23,25,29H,12-18H2,1-2H3.
What are the key properties of [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 422.57 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 55625282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).