2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine

C24H32N2O2 — CID 129053759

IUPAC2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCOC(C3CCN(Cc4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H32N2O2/c1-27-23-9-7-21(8-10-23)18-26-15-16-28-24(19-26)22-11-13-25(14-12-22)17-20-5-3-2-4-6-20/h2-10,22,24H,11-19H2,1H3
InChIKeyFVRRYAWBHZXWME-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.81
Rot. Bonds6

About 2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine

2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine (PubChem CID 129053759) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine
PubChem CID129053759
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCOC(C3CCN(Cc4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H32N2O2/c1-27-23-9-7-21(8-10-23)18-26-15-16-28-24(19-26)22-11-13-25(14-12-22)17-20-5-3-2-4-6-20/h2-10,22,24H,11-19H2,1H3
InChIKeyFVRRYAWBHZXWME-UHFFFAOYSA-N
XLogP3.81
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane
CID 155814589
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
(3aS,8aS)-6-benzyl-2-[(4-methoxyphenyl)methyl]-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine 1,1-dioxide
CID 124796345
(4aS,9aS)-2-benzyl-7-[(4-methoxyphenyl)methyl]-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one
CID 163143178
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane
CID 156540563
(4aS,9aR)-2-[(4-methoxyphenyl)methyl]-7-phenyl-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one
CID 26742684
1-benzyl-4-(1,3-dioxolan-2-yl)piperidine
CID 72714001

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine (CID 129053759) is 2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine is COc1ccc(CN2CCOC(C3CCN(Cc4ccccc4)CC3)C2)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine?
The InChIKey is FVRRYAWBHZXWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-27-23-9-7-21(8-10-23)18-26-15-16-28-24(19-26)22-11-13-25(14-12-22)17-20-5-3-2-4-6-20/h2-10,22,24H,11-19H2,1H3.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine?
2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine has a molecular weight of 380.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 129053759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).