4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine

C22H31N3O — CID 11581161

IUPAC4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)ccc1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H31N3O/c1-23-21(7-8-22(23)18-25-13-15-26-16-14-25)17-24-11-9-20(10-12-24)19-5-3-2-4-6-19/h2-8,20H,9-18H2,1H3
InChIKeyFNEUVUBNBDHWAI-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.24
Rot. Bonds5

About 4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine

4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine (PubChem CID 11581161) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine
PubChem CID11581161
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)ccc1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H31N3O/c1-23-21(7-8-22(23)18-25-13-15-26-16-14-25)17-24-11-9-20(10-12-24)19-5-3-2-4-6-19/h2-8,20H,9-18H2,1H3
InChIKeyFNEUVUBNBDHWAI-UHFFFAOYSA-N
XLogP3.24
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-11-(4-methyl-piperazin-1-yl)-5H-benzo[e]pyrrolo[1,2-a]azepine
CID 11392229
1-{5-[4-(2-Isopropyl-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-piperidin-2-one
CID 15724500
3-(4-Morpholinobenzylidene)anabaseine
CID 46702535
4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]morpholine
CID 1812537
[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl](morpholin-4-yl)methanethione
CID 713481
(1-Ethenyl-4,5,6,7-tetrahydroindol-2-yl)-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 2312464
1-(2,2-Diethoxyethyl)-4-methyl-2,6-diphenylpyridin-1-ium perchlorate
CID 24892494
2-{[4-(2-Fluorobenzyl)-1-piperidinyl]methyl}-6-methylpyridine
CID 29152007
4-((5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2-yl)methyl)morpholine
CID 44411119
4-[[1-(4-Fluorophenyl)-5-(4-isopropylphenyl)-2-methyl-pyrrol-3-yl]methyl]morpholine
CID 73953235
4-[[2-Methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
CID 145981699
4-[[1-Cyclohexyl-2-methyl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
CID 145982242

Frequently Asked Questions

What is the IUPAC name of 4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine (CID 11581161) is 4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine is Cn1c(CN2CCOCC2)ccc1CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine?
The InChIKey is FNEUVUBNBDHWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-23-21(7-8-22(23)18-25-13-15-26-16-14-25)17-24-11-9-20(10-12-24)19-5-3-2-4-6-19/h2-8,20H,9-18H2,1H3.
What are the key properties of 4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine?
4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine has a molecular weight of 353.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine is sourced from PubChem (CID 11581161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).