4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine

C17H27N3O — CID 82250577

IUPAC4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine
SMILESc1ccc(CC2CNCCN2CCN2CCOCC2)cc1
InChIInChI=1S/C17H27N3O/c1-2-4-16(5-3-1)14-17-15-18-6-7-20(17)9-8-19-10-12-21-13-11-19/h1-5,17-18H,6-15H2
InChIKeyFLHUJWPOUUSIIT-UHFFFAOYSA-N
MW289.42 g/mol
LogP0.84
Rot. Bonds5

About 4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine

4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine (PubChem CID 82250577) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine
PubChem CID82250577
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine
SMILESc1ccc(CC2CNCCN2CCN2CCOCC2)cc1
InChIInChI=1S/C17H27N3O/c1-2-4-16(5-3-1)14-17-15-18-6-7-20(17)9-8-19-10-12-21-13-11-19/h1-5,17-18H,6-15H2
InChIKeyFLHUJWPOUUSIIT-UHFFFAOYSA-N
XLogP0.84
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 81114655
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CID 64846831
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CID 64845833
2-benzyl-1-(2-phenylethyl)-1,4-diazepane
CID 82251349
2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64846826
4-[2-[2-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 82245440
2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine
CID 107901402
4-[(2-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414062
4-[[(2S)-2-benzylpiperazin-1-yl]methyl]benzoic acid
CID 45072762
1,5-bis[2-[(4-phenylphenyl)methyl]piperazin-1-yl]pentan-3-one
CID 174487424
(2R)-2-benzyl-1-methylsulfonylpiperazine
CID 94990746
3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980885

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine (CID 82250577) is 4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine is c1ccc(CC2CNCCN2CCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine?
The InChIKey is FLHUJWPOUUSIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-4-16(5-3-1)14-17-15-18-6-7-20(17)9-8-19-10-12-21-13-11-19/h1-5,17-18H,6-15H2.
What are the key properties of 4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine?
4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine has a molecular weight of 289.42 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine is sourced from PubChem (CID 82250577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).