N,1-dimethylpiperidin-3-amine;propan-2-one

C10H22N2O — CID 91110741

IUPACN,1-dimethylpiperidin-3-amine;propan-2-one
SMILESCC(C)=O.CNC1CCCN(C)C1
InChIInChI=1S/C7H16N2.C3H6O/c1-8-7-4-3-5-9(2)6-7;1-3(2)4/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyPGSLGLNBIXTSFM-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.90
Rot. Bonds1

About N,1-dimethylpiperidin-3-amine;propan-2-one

N,1-dimethylpiperidin-3-amine;propan-2-one (PubChem CID 91110741) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N,1-dimethylpiperidin-3-amine;propan-2-one.

Molecular Properties

Compound NameN,1-dimethylpiperidin-3-amine;propan-2-one
PubChem CID91110741
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN,1-dimethylpiperidin-3-amine;propan-2-one
SMILESCC(C)=O.CNC1CCCN(C)C1
InChIInChI=1S/C7H16N2.C3H6O/c1-8-7-4-3-5-9(2)6-7;1-3(2)4/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyPGSLGLNBIXTSFM-UHFFFAOYSA-N
XLogP0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-propionylpiperazine
CID 3030170
1-[2,6-Dimethyl-4-[5-(2,2,2-trifluoroethylamino)pentyl]piperazin-1-yl]propan-2-one
CID 173504430
N-(1-ethylpiperidin-3-yl)acetamide
CID 59131131
N-(1-butylpiperidin-3-yl)acetamide
CID 84001752
N-(1-propylpiperidin-3-yl)acetamide
CID 119088552
(3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one
CID 135040309
1-Propan-2-ylpiperidin-1-ium-4-one
CID 6950775
1-[(3R)-3-propylpiperazin-1-yl]ethanone
CID 11240732
1-[(3R)-3-butylpiperazin-1-yl]ethanone
CID 11275438
N-(1-methylpiperidin-3-yl)acetamide
CID 12297907
2-[(1-Methylpiperidin-4-yl)amino]acetamide
CID 16228740
3-Piperazin-1-ylbutan-2-one
CID 16770120

Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpiperidin-3-amine;propan-2-one?
The IUPAC name of N,1-dimethylpiperidin-3-amine;propan-2-one (CID 91110741) is N,1-dimethylpiperidin-3-amine;propan-2-one.
What is the SMILES notation for N,1-dimethylpiperidin-3-amine;propan-2-one?
The canonical SMILES for N,1-dimethylpiperidin-3-amine;propan-2-one is CC(C)=O.CNC1CCCN(C)C1.
What is the InChIKey of N,1-dimethylpiperidin-3-amine;propan-2-one?
The InChIKey is PGSLGLNBIXTSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C3H6O/c1-8-7-4-3-5-9(2)6-7;1-3(2)4/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of N,1-dimethylpiperidin-3-amine;propan-2-one?
N,1-dimethylpiperidin-3-amine;propan-2-one has a molecular weight of 186.30 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpiperidin-3-amine;propan-2-one is sourced from PubChem (CID 91110741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).