4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine

C20H33N3O — CID 83978634

IUPAC4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine
SMILESCC(C)(C)c1ccc(C(CN2CCOCC2)N2CCNCC2)cc1
InChIInChI=1S/C20H33N3O/c1-20(2,3)18-6-4-17(5-7-18)19(23-10-8-21-9-11-23)16-22-12-14-24-15-13-22/h4-7,19,21H,8-16H2,1-3H3
InChIKeyLBQSDOSAGAVNJW-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.26
Rot. Bonds4

About 4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine

4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine (PubChem CID 83978634) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine
PubChem CID83978634
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine
SMILESCC(C)(C)c1ccc(C(CN2CCOCC2)N2CCNCC2)cc1
InChIInChI=1S/C20H33N3O/c1-20(2,3)18-6-4-17(5-7-18)19(23-10-8-21-9-11-23)16-22-12-14-24-15-13-22/h4-7,19,21H,8-16H2,1-3H3
InChIKeyLBQSDOSAGAVNJW-UHFFFAOYSA-N
XLogP2.26
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169001
1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182372
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
4-[(1R)-1-(4-fluorophenyl)-2-morpholin-4-ylethyl]morpholine
CID 95988041
1-[(1S)-1-(4-tert-butylphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275303
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301
1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
CID 171308868
1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
CID 83978752
N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline
CID 83977914
4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine
CID 83978451
(4-tert-butylphenyl)-piperazin-1-ylmethanamine
CID 116939723
1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine
CID 82303050

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine?
The IUPAC name of 4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine (CID 83978634) is 4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine is CC(C)(C)c1ccc(C(CN2CCOCC2)N2CCNCC2)cc1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine?
The InChIKey is LBQSDOSAGAVNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-20(2,3)18-6-4-17(5-7-18)19(23-10-8-21-9-11-23)16-22-12-14-24-15-13-22/h4-7,19,21H,8-16H2,1-3H3.
What are the key properties of 4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine?
4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine has a molecular weight of 331.50 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine is sourced from PubChem (CID 83978634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).