1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride

C17H35Cl2N3O — CID 119852053

IUPAC1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCC(CN(C)C)CC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/c1-14(16-4-8-18-9-5-16)12-17(21)20-10-6-15(7-11-20)13-19(2)3;;/h14-16,18H,4-13H2,1-3H3;2*1H
InChIKeyAAHKHEKZYUVWNO-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.66
Rot. Bonds5

About 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride

1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride (PubChem CID 119852053) has the molecular formula C17H35Cl2N3O and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
PubChem CID119852053
Molecular FormulaC17H35Cl2N3O
Molecular Weight368.39 g/mol
Exact Mass367.22
IUPAC Name1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCC(CN(C)C)CC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/c1-14(16-4-8-18-9-5-16)12-17(21)20-10-6-15(7-11-20)13-19(2)3;;/h14-16,18H,4-13H2,1-3H3;2*1H
InChIKeyAAHKHEKZYUVWNO-UHFFFAOYSA-N
XLogP2.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride with MolForge

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Related Compounds

1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875260
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119896709
1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119794906
1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119814348
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
CID 119876029
1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119809794
1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119837290
N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride
CID 119727435
1-[3-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119781766
1-(4-phenoxypiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119725118

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride?
The IUPAC name of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride (CID 119852053) is 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride is CC(CC(=O)N1CCC(CN(C)C)CC1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride?
The InChIKey is AAHKHEKZYUVWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.2ClH/c1-14(16-4-8-18-9-5-16)12-17(21)20-10-6-15(7-11-20)13-19(2)3;;/h14-16,18H,4-13H2,1-3H3;2*1H.
What are the key properties of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride?
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride has a molecular weight of 368.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride is sourced from PubChem (CID 119852053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).