4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine

C22H28N2O — CID 70814071

IUPAC4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine
SMILESC1=CC(N2CCOCC2)CC=C1C12CC1CN(Cc1ccccc1)C2
InChIInChI=1S/C22H28N2O/c1-2-4-18(5-3-1)15-23-16-20-14-22(20,17-23)19-6-8-21(9-7-19)24-10-12-25-13-11-24/h1-8,20-21H,9-17H2
InChIKeyCCUGUURAORGTCO-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.10
Rot. Bonds4

About 4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine

4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine (PubChem CID 70814071) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine
PubChem CID70814071
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine
SMILESC1=CC(N2CCOCC2)CC=C1C12CC1CN(Cc1ccccc1)C2
InChIInChI=1S/C22H28N2O/c1-2-4-18(5-3-1)15-23-16-20-14-22(20,17-23)19-6-8-21(9-7-19)24-10-12-25-13-11-24/h1-8,20-21H,9-17H2
InChIKeyCCUGUURAORGTCO-UHFFFAOYSA-N
XLogP3.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine with MolForge

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Related Compounds

3-ethyl-1-[4-(4-ethyl-2-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]-3-azabicyclo[3.1.0]hexane
CID 70814014
N-(1-benzylpyrrolidin-3-yl)morpholin-4-amine
CID 83009614
(7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane
CID 92858965
4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
CID 17369370
7-benzyl-16-bromo-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 177071319
(1R,5S)-3-benzyl-1-ethynyl-3-azabicyclo[3.1.0]hexane
CID 176599673
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 83825243
1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine
CID 103748644
(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 155822282
N-[2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]morpholine-4-sulfonamide
CID 171149001
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 176801204

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine?
The IUPAC name of 4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine (CID 70814071) is 4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine.
What is the SMILES notation for 4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine?
The canonical SMILES for 4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine is C1=CC(N2CCOCC2)CC=C1C12CC1CN(Cc1ccccc1)C2.
What is the InChIKey of 4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine?
The InChIKey is CCUGUURAORGTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-2-4-18(5-3-1)15-23-16-20-14-22(20,17-23)19-6-8-21(9-7-19)24-10-12-25-13-11-24/h1-8,20-21H,9-17H2.
What are the key properties of 4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine?
4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine has a molecular weight of 336.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-benzyl-3-azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]morpholine is sourced from PubChem (CID 70814071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).