4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine

C18H27N3O2 — CID 1084319

IUPAC4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine
SMILESCOc1ccc(C2N3CCCN2CC3)cc1CN1CCOCC1
InChIInChI=1S/C18H27N3O2/c1-22-17-4-3-15(18-20-5-2-6-21(18)8-7-20)13-16(17)14-19-9-11-23-12-10-19/h3-4,13,18H,2,5-12,14H2,1H3
InChIKeyDRUFJJXYTKXTRC-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.55
Rot. Bonds4

About 4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine

4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine (PubChem CID 1084319) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine
PubChem CID1084319
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine
SMILESCOc1ccc(C2N3CCCN2CC3)cc1CN1CCOCC1
InChIInChI=1S/C18H27N3O2/c1-22-17-4-3-15(18-20-5-2-6-21(18)8-7-20)13-16(17)14-19-9-11-23-12-10-19/h3-4,13,18H,2,5-12,14H2,1H3
InChIKeyDRUFJJXYTKXTRC-UHFFFAOYSA-N
XLogP1.55
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117384193
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
(2S,4R)-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 840170
4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde
CID 163990901
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
CID 117447646
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
3-(3,5-dimethylphenyl)-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 23764915
ethyl (4S)-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1085505

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine?
The IUPAC name of 4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine (CID 1084319) is 4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine?
The canonical SMILES for 4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine is COc1ccc(C2N3CCCN2CC3)cc1CN1CCOCC1.
What is the InChIKey of 4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine?
The InChIKey is DRUFJJXYTKXTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-22-17-4-3-15(18-20-5-2-6-21(18)8-7-20)13-16(17)14-19-9-11-23-12-10-19/h3-4,13,18H,2,5-12,14H2,1H3.
What are the key properties of 4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine?
4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine has a molecular weight of 317.43 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine is sourced from PubChem (CID 1084319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).