2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine

C25H33Cl2N3O2 — CID 174683503

IUPAC2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine
SMILESClc1cccc(N2CCN(CCCCOc3ccc(CC4CNCCO4)cc3)CC2)c1Cl
InChIInChI=1S/C25H33Cl2N3O2/c26-23-4-3-5-24(25(23)27)30-14-12-29(13-15-30)11-1-2-16-31-21-8-6-20(7-9-21)18-22-19-28-10-17-32-22/h3-9,22,28H,1-2,10-19H2
InChIKeyMGNXHYDXGQDCNM-UHFFFAOYSA-N
MW478.46 g/mol
LogP4.51
Rot. Bonds9

About 2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine

2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine (PubChem CID 174683503) has the molecular formula C25H33Cl2N3O2 and a molecular weight of 478.46 g/mol. Its IUPAC name is 2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine.

Molecular Properties

Compound Name2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine
PubChem CID174683503
Molecular FormulaC25H33Cl2N3O2
Molecular Weight478.46 g/mol
Exact Mass477.19
IUPAC Name2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine
SMILESClc1cccc(N2CCN(CCCCOc3ccc(CC4CNCCO4)cc3)CC2)c1Cl
InChIInChI=1S/C25H33Cl2N3O2/c26-23-4-3-5-24(25(23)27)30-14-12-29(13-15-30)11-1-2-16-31-21-8-6-20(7-9-21)18-22-19-28-10-17-32-22/h3-9,22,28H,1-2,10-19H2
InChIKeyMGNXHYDXGQDCNM-UHFFFAOYSA-N
XLogP4.51
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
CID 146025635
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
CID 11951410
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]isoindol-1-one
CID 69164528
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 11720026
7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 171647773
5-(4-bromobutoxy)-1,3-benzothiazole;1-(2,3-dichlorophenyl)piperazine;5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1,3-benzothiazole;hydrochloride
CID 159737186
4-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one
CID 147533941
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-methylidene-3,4-dihydroquinolin-1-yl]methanol
CID 149358997
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxoquinolin-1-yl]methyl cyclopentanecarboxylate
CID 58096803
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
[N-acetyl-5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-methylanilino]methyl morpholine-4-carboxylate
CID 166691032
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxoquinolin-1-yl]methyl cyclohexanecarboxylate
CID 58097028

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine?
The IUPAC name of 2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine (CID 174683503) is 2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine.
What is the SMILES notation for 2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine?
The canonical SMILES for 2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine is Clc1cccc(N2CCN(CCCCOc3ccc(CC4CNCCO4)cc3)CC2)c1Cl.
What is the InChIKey of 2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine?
The InChIKey is MGNXHYDXGQDCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33Cl2N3O2/c26-23-4-3-5-24(25(23)27)30-14-12-29(13-15-30)11-1-2-16-31-21-8-6-20(7-9-21)18-22-19-28-10-17-32-22/h3-9,22,28H,1-2,10-19H2.
What are the key properties of 2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine?
2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine has a molecular weight of 478.46 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]phenyl]methyl]morpholine is sourced from PubChem (CID 174683503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).