(4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

C20H33Cl2N3O2 — CID 119878673

IUPAC(4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-19(2)16-22(18(24)20(25-3)9-11-21-12-10-20)13-14-23(19)15-17-7-5-4-6-8-17;;/h4-8,21H,9-16H2,1-3H3;2*1H
InChIKeyQSNFBCZOOZTSNI-UHFFFAOYSA-N
MW418.41 g/mol
LogP2.72
Rot. Bonds4

About (4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

(4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (PubChem CID 119878673) has the molecular formula C20H33Cl2N3O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is (4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
PubChem CID119878673
Molecular FormulaC20H33Cl2N3O2
Molecular Weight418.41 g/mol
Exact Mass417.19
IUPAC Name(4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-19(2)16-22(18(24)20(25-3)9-11-21-12-10-20)13-14-23(19)15-17-7-5-4-6-8-17;;/h4-8,21H,9-16H2,1-3H3;2*1H
InChIKeyQSNFBCZOOZTSNI-UHFFFAOYSA-N
XLogP2.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 119754770
[4-(aminomethyl)oxan-4-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120941187
(3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119782206
(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride
CID 119741426
1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 167400886
1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777882
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119876180
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119826585
(3-benzyl-2-methylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119806940
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
CID 119878310
(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756702
(3-chlorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747867

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of (4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (CID 119878673) is (4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for (4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is COC1(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CCNCC1.Cl.Cl.
What is the InChIKey of (4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is QSNFBCZOOZTSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.2ClH/c1-19(2)16-22(18(24)20(25-3)9-11-21-12-10-20)13-14-23(19)15-17-7-5-4-6-8-17;;/h4-8,21H,9-16H2,1-3H3;2*1H.
What are the key properties of (4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
(4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 418.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119878673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).