(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine

C26H36N2O3 — CID 7121801

IUPAC(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
SMILESCOc1ccc(CN2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C26H36N2O3/c1-20-16-28(17-21(2)31-20)24-11-13-27(14-12-24)18-23-9-10-25(29-3)26(15-23)30-19-22-7-5-4-6-8-22/h4-10,15,20-21,24H,11-14,16-19H2,1-3H3/t20-,21-/m0/s1
InChIKeyWIDPDFCJYLWUFS-SFTDATJTSA-N
MW424.59 g/mol
LogP4.35
Rot. Bonds7

About (2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine

(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 7121801) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is (2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
PubChem CID7121801
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
SMILESCOc1ccc(CN2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C26H36N2O3/c1-20-16-28(17-21(2)31-20)24-11-13-27(14-12-24)18-23-9-10-25(29-3)26(15-23)30-19-22-7-5-4-6-8-22/h4-10,15,20-21,24H,11-14,16-19H2,1-3H3/t20-,21-/m0/s1
InChIKeyWIDPDFCJYLWUFS-SFTDATJTSA-N
XLogP4.35
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

(2R,6R)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 756427
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
CID 1375678
1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine
CID 2912108
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 7344375
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
CID 17369761
N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 4222218
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 3435769
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
(2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 6556241

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine (CID 7121801) is (2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine is COc1ccc(CN2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1.
What is the InChIKey of (2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is WIDPDFCJYLWUFS-SFTDATJTSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-20-16-28(17-21(2)31-20)24-11-13-27(14-12-24)18-23-9-10-25(29-3)26(15-23)30-19-22-7-5-4-6-8-22/h4-10,15,20-21,24H,11-14,16-19H2,1-3H3/t20-,21-/m0/s1.
What are the key properties of (2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine?
(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 424.59 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 7121801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).