2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride

C13H26ClN3O — CID 119913231

IUPAC2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCCCC1)C1CCNCC1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-15(12-5-7-14-8-6-12)11-13(17)16-9-3-2-4-10-16;/h12,14H,2-11H2,1H3;1H
InChIKeyNTAUYYOMOCNTGI-UHFFFAOYSA-N
MW275.82 g/mol
LogP1.10
Rot. Bonds3

About 2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride

2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride (PubChem CID 119913231) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
PubChem CID119913231
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC Name2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCCCC1)C1CCNCC1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-15(12-5-7-14-8-6-12)11-13(17)16-9-3-2-4-10-16;/h12,14H,2-11H2,1H3;1H
InChIKeyNTAUYYOMOCNTGI-UHFFFAOYSA-N
XLogP1.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
1-(azepan-1-yl)-2-[methyl(pyrrolidin-3-yl)amino]ethanone;hydrochloride
CID 119922846
2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
CID 63301733
1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
CID 154910756
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
2-[azepan-3-yl(methyl)amino]-1-pyrrolidin-1-ylethanone
CID 114218547
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
CID 154910640
2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
CID 43611217
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone
CID 61232607
3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride (CID 119913231) is 2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride is CN(CC(=O)N1CCCCC1)C1CCNCC1.Cl.
What is the InChIKey of 2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride?
The InChIKey is NTAUYYOMOCNTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c1-15(12-5-7-14-8-6-12)11-13(17)16-9-3-2-4-10-16;/h12,14H,2-11H2,1H3;1H.
What are the key properties of 2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride?
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119913231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).