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

C18H37Cl2N3O2 — CID 120642749

IUPAC[4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
SMILESCCN(CC)CC1CCN(C(=O)C2(COC)CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C18H35N3O2.2ClH/c1-4-20(5-2)14-16-6-12-21(13-7-16)17(22)18(15-23-3)8-10-19-11-9-18;;/h16,19H,4-15H2,1-3H3;2*1H
InChIKeyZGKKPZJNBUBZMW-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.43
Rot. Bonds7

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

[4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride (PubChem CID 120642749) has the molecular formula C18H37Cl2N3O2 and a molecular weight of 398.42 g/mol. Its IUPAC name is [4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
PubChem CID120642749
Molecular FormulaC18H37Cl2N3O2
Molecular Weight398.42 g/mol
Exact Mass397.23
IUPAC Name[4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
SMILESCCN(CC)CC1CCN(C(=O)C2(COC)CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C18H35N3O2.2ClH/c1-4-20(5-2)14-16-6-12-21(13-7-16)17(22)18(15-23-3)8-10-19-11-9-18;;/h16,19H,4-15H2,1-3H3;2*1H
InChIKeyZGKKPZJNBUBZMW-UHFFFAOYSA-N
XLogP2.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119894888
[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120633382
1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone
CID 120646385
(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120622597
N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 120624231
[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120619483
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120617943
[4-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 138045968
(4-ethylpiperidin-4-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597488
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119896789
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 120620516

Frequently Asked Questions

What is the IUPAC name of [4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride?
The IUPAC name of [4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride (CID 120642749) is [4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride is CCN(CC)CC1CCN(C(=O)C2(COC)CCNCC2)CC1.Cl.Cl.
What is the InChIKey of [4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride?
The InChIKey is ZGKKPZJNBUBZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2.2ClH/c1-4-20(5-2)14-16-6-12-21(13-7-16)17(22)18(15-23-3)8-10-19-11-9-18;;/h16,19H,4-15H2,1-3H3;2*1H.
What are the key properties of [4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride?
[4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride has a molecular weight of 398.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 120642749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).