(4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride

C23H31Cl2N3O3 — CID 120732756

IUPAC(4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C1CN(Cc2ccccc2)CCO1.Cl.Cl
InChIInChI=1S/C23H29N3O3.2ClH/c1-28-21-10-6-5-9-19(21)20-15-24-11-12-26(20)23(27)22-17-25(13-14-29-22)16-18-7-3-2-4-8-18;;/h2-10,20,22,24H,11-17H2,1H3;2*1H
InChIKeyRGJKRCPOJOLSCH-UHFFFAOYSA-N
MW468.43 g/mol
LogP2.91
Rot. Bonds5

About (4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride

(4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 120732756) has the molecular formula C23H31Cl2N3O3 and a molecular weight of 468.43 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID120732756
Molecular FormulaC23H31Cl2N3O3
Molecular Weight468.43 g/mol
Exact Mass467.17
IUPAC Name(4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C1CN(Cc2ccccc2)CCO1.Cl.Cl
InChIInChI=1S/C23H29N3O3.2ClH/c1-28-21-10-6-5-9-19(21)20-15-24-11-12-26(20)23(27)22-17-25(13-14-29-22)16-18-7-3-2-4-8-18;;/h2-10,20,22,24H,11-17H2,1H3;2*1H
InChIKeyRGJKRCPOJOLSCH-UHFFFAOYSA-N
XLogP2.91
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone
CID 120738113
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 120735077
(4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572360
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 120735196
2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733916
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride (CID 120732756) is (4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride is COc1ccccc1C1CNCCN1C(=O)C1CN(Cc2ccccc2)CCO1.Cl.Cl.
What is the InChIKey of (4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is RGJKRCPOJOLSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.2ClH/c1-28-21-10-6-5-9-19(21)20-15-24-11-12-26(20)23(27)22-17-25(13-14-29-22)16-18-7-3-2-4-8-18;;/h2-10,20,22,24H,11-17H2,1H3;2*1H.
What are the key properties of (4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride?
(4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 468.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120732756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).