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

C18H29Cl2N3O3 — CID 119826585

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCOc1ccccc1N1CCN(C(=O)C2(OC)CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C18H27N3O3.2ClH/c1-23-16-6-4-3-5-15(16)20-11-13-21(14-12-20)17(22)18(24-2)7-9-19-10-8-18;;/h3-6,19H,7-14H2,1-2H3;2*1H
InChIKeyMPODFDYNBXAXTR-UHFFFAOYSA-N
MW406.35 g/mol
LogP1.96
Rot. Bonds4

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

[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (PubChem CID 119826585) has the molecular formula C18H29Cl2N3O3 and a molecular weight of 406.35 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
PubChem CID119826585
Molecular FormulaC18H29Cl2N3O3
Molecular Weight406.35 g/mol
Exact Mass405.16
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCOc1ccccc1N1CCN(C(=O)C2(OC)CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C18H27N3O3.2ClH/c1-23-16-6-4-3-5-15(16)20-11-13-21(14-12-20)17(22)18(24-2)7-9-19-10-8-18;;/h3-6,19H,7-14H2,1-2H3;2*1H
InChIKeyMPODFDYNBXAXTR-UHFFFAOYSA-N
XLogP1.96
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119888933
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119876180
(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827990
1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777882
(4-methoxypiperidin-4-yl)-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone
CID 119876960
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198236
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone
CID 59647949
(4-methoxypiperidin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride
CID 119828329
(4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119710373
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119710205
tert-butyl 4-(2-methoxyphenyl)-1,4-diazepane-1-carboxylate;1-(2-methoxyphenyl)-1,4-diazepane
CID 161383472

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (CID 119826585) is [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is COc1ccccc1N1CCN(C(=O)C2(OC)CCNCC2)CC1.Cl.Cl.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is MPODFDYNBXAXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.2ClH/c1-23-16-6-4-3-5-15(16)20-11-13-21(14-12-20)17(22)18(24-2)7-9-19-10-8-18;;/h3-6,19H,7-14H2,1-2H3;2*1H.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 406.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119826585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).