1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride

C11H25Cl2N3O — CID 119852035

IUPAC1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride
SMILESCNCC(=O)N1CCC(CN(C)C)CC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-12-8-11(15)14-6-4-10(5-7-14)9-13(2)3;;/h10,12H,4-9H2,1-3H3;2*1H
InChIKeyFWSSXJPZXBCPOI-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.85
Rot. Bonds4

About 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride

1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride (PubChem CID 119852035) has the molecular formula C11H25Cl2N3O and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride
PubChem CID119852035
Molecular FormulaC11H25Cl2N3O
Molecular Weight286.25 g/mol
Exact Mass285.14
IUPAC Name1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride
SMILESCNCC(=O)N1CCC(CN(C)C)CC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-12-8-11(15)14-6-4-10(5-7-14)9-13(2)3;;/h10,12H,4-9H2,1-3H3;2*1H
InChIKeyFWSSXJPZXBCPOI-UHFFFAOYSA-N
XLogP0.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methylamino)butan-1-one
CID 54874514
4-[(dimethylamino)methyl]-N-methylpiperidine-1-carboxamide
CID 115583877
1-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 63977470
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 79201880
1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 146064318
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
(2S)-2-amino-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 82963766
1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride
CID 120704431
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 103429730

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride?
The IUPAC name of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride (CID 119852035) is 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride is CNCC(=O)N1CCC(CN(C)C)CC1.Cl.Cl.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride?
The InChIKey is FWSSXJPZXBCPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.2ClH/c1-12-8-11(15)14-6-4-10(5-7-14)9-13(2)3;;/h10,12H,4-9H2,1-3H3;2*1H.
What are the key properties of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride?
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride has a molecular weight of 286.25 g/mol, XLogP of 0.85, 4 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]-2-(methylamino)ethanone;dihydrochloride is sourced from PubChem (CID 119852035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).