4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine

C20H32FN3O — CID 56881417

IUPAC4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine
SMILESCC(C)(CN1CCCN(Cc2ccccc2F)CC1)N1CCOCC1
InChIInChI=1S/C20H32FN3O/c1-20(2,24-12-14-25-15-13-24)17-23-9-5-8-22(10-11-23)16-18-6-3-4-7-19(18)21/h3-4,6-7H,5,8-17H2,1-2H3
InChIKeyZOOCXHULGDWPPB-UHFFFAOYSA-N
MW349.49 g/mol
LogP2.44
Rot. Bonds5

About 4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine

4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine (PubChem CID 56881417) has the molecular formula C20H32FN3O and a molecular weight of 349.49 g/mol. Its IUPAC name is 4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine
PubChem CID56881417
Molecular FormulaC20H32FN3O
Molecular Weight349.49 g/mol
Exact Mass349.25
IUPAC Name4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine
SMILESCC(C)(CN1CCCN(Cc2ccccc2F)CC1)N1CCOCC1
InChIInChI=1S/C20H32FN3O/c1-20(2,24-12-14-25-15-13-24)17-23-9-5-8-22(10-11-23)16-18-6-3-4-7-19(18)21/h3-4,6-7H,5,8-17H2,1-2H3
InChIKeyZOOCXHULGDWPPB-UHFFFAOYSA-N
XLogP2.44
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643365
4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 95862544
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 51074617
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]morpholine
CID 172905616
1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111266075
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-[(2-fluorophenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane
CID 56890611
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 113074079
N-[(2-fluorophenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809807
1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine
CID 80674131

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine?
The IUPAC name of 4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine (CID 56881417) is 4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine.
What is the SMILES notation for 4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine?
The canonical SMILES for 4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine is CC(C)(CN1CCCN(Cc2ccccc2F)CC1)N1CCOCC1.
What is the InChIKey of 4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine?
The InChIKey is ZOOCXHULGDWPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3O/c1-20(2,24-12-14-25-15-13-24)17-23-9-5-8-22(10-11-23)16-18-6-3-4-7-19(18)21/h3-4,6-7H,5,8-17H2,1-2H3.
What are the key properties of 4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine?
4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine has a molecular weight of 349.49 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine is sourced from PubChem (CID 56881417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).