3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

C18H28ClN3O2 — CID 120980885

IUPAC3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCOCC1Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C18H27N3O2.ClH/c22-18(21-10-7-19-8-11-21)6-9-20-12-13-23-15-17(20)14-16-4-2-1-3-5-16;/h1-5,17,19H,6-15H2;1H
InChIKeyLKFRBKKSIUJIKX-UHFFFAOYSA-N
MW353.89 g/mol
LogP1.17
Rot. Bonds5

About 3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980885) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980885
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCOCC1Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C18H27N3O2.ClH/c22-18(21-10-7-19-8-11-21)6-9-20-12-13-23-15-17(20)14-16-4-2-1-3-5-16;/h1-5,17,19H,6-15H2;1H
InChIKeyLKFRBKKSIUJIKX-UHFFFAOYSA-N
XLogP1.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980885) is 3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is Cl.O=C(CCN1CCOCC1Cc1ccccc1)N1CCNCC1.
What is the InChIKey of 3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is LKFRBKKSIUJIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c22-18(21-10-7-19-8-11-21)6-9-20-12-13-23-15-17(20)14-16-4-2-1-3-5-16;/h1-5,17,19H,6-15H2;1H.
What are the key properties of 3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).