[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

C20H33Cl2N3O3 — CID 119877616

IUPAC[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCOc1cccc(C(C)N2CCN(C(=O)C3(OC)CCNCC3)CC2)c1.Cl.Cl
InChIInChI=1S/C20H31N3O3.2ClH/c1-16(17-5-4-6-18(15-17)25-2)22-11-13-23(14-12-22)19(24)20(26-3)7-9-21-10-8-20;;/h4-6,15-16,21H,7-14H2,1-3H3;2*1H
InChIKeyLGLZORZKSKFIRE-UHFFFAOYSA-N
MW434.41 g/mol
LogP2.51
Rot. Bonds5

About [4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (PubChem CID 119877616) has the molecular formula C20H33Cl2N3O3 and a molecular weight of 434.41 g/mol. Its IUPAC name is [4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
PubChem CID119877616
Molecular FormulaC20H33Cl2N3O3
Molecular Weight434.41 g/mol
Exact Mass433.19
IUPAC Name[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCOc1cccc(C(C)N2CCN(C(=O)C3(OC)CCNCC3)CC2)c1.Cl.Cl
InChIInChI=1S/C20H31N3O3.2ClH/c1-16(17-5-4-6-18(15-17)25-2)22-11-13-23(14-12-22)19(24)20(26-3)7-9-21-10-8-20;;/h4-6,15-16,21H,7-14H2,1-3H3;2*1H
InChIKeyLGLZORZKSKFIRE-UHFFFAOYSA-N
XLogP2.51
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877596
3-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982661
(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119710205
3-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119877620
(3-aminophenyl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119877606
(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756702
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119826585
4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 119721118
(3-chlorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747867
(4-methoxypiperidin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride
CID 119828329
[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 99820617

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (CID 119877616) is [4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is COc1cccc(C(C)N2CCN(C(=O)C3(OC)CCNCC3)CC2)c1.Cl.Cl.
What is the InChIKey of [4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is LGLZORZKSKFIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3.2ClH/c1-16(17-5-4-6-18(15-17)25-2)22-11-13-23(14-12-22)19(24)20(26-3)7-9-21-10-8-20;;/h4-6,15-16,21H,7-14H2,1-3H3;2*1H.
What are the key properties of [4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 434.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119877616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).