[4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride

C20H33Cl2N3O2 — CID 120647292

IUPAC[4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride
SMILESCOCC1(C(=O)N2CCC(Nc3cccc(C)c3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-16-4-3-5-18(14-16)22-17-6-12-23(13-7-17)19(24)20(15-25-2)8-10-21-11-9-20;;/h3-5,14,17,21-22H,6-13,15H2,1-2H3;2*1H
InChIKeyHOQCKWNLTBDZLM-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.26
Rot. Bonds5

About [4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride

[4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 120647292) has the molecular formula C20H33Cl2N3O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride
PubChem CID120647292
Molecular FormulaC20H33Cl2N3O2
Molecular Weight418.41 g/mol
Exact Mass417.19
IUPAC Name[4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride
SMILESCOCC1(C(=O)N2CCC(Nc3cccc(C)c3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-16-4-3-5-18(14-16)22-17-6-12-23(13-7-17)19(24)20(15-25-2)8-10-21-11-9-20;;/h3-5,14,17,21-22H,6-13,15H2,1-2H3;2*1H
InChIKeyHOQCKWNLTBDZLM-UHFFFAOYSA-N
XLogP3.26
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892742
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892722
[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120619483
[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 120619182
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120633382
[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 120622590
1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 120630039
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800
(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120622597
1-[4-(3-methylanilino)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119892708

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride (CID 120647292) is [4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride is COCC1(C(=O)N2CCC(Nc3cccc(C)c3)CC2)CCNCC1.Cl.Cl.
What is the InChIKey of [4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is HOQCKWNLTBDZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.2ClH/c1-16-4-3-5-18(14-16)22-17-6-12-23(13-7-17)19(24)20(15-25-2)8-10-21-11-9-20;;/h3-5,14,17,21-22H,6-13,15H2,1-2H3;2*1H.
What are the key properties of [4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride?
[4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 418.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120647292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).