2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine

C13H28N2O — CID 115003113

IUPAC2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine
SMILESCCCNCC(C)COC1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-4-7-14-10-12(2)11-16-13-5-8-15(3)9-6-13/h12-14H,4-11H2,1-3H3
InChIKeyYLCQSOVGSIBSNY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds7

About 2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine

2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine (PubChem CID 115003113) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine
PubChem CID115003113
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine
SMILESCCCNCC(C)COC1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-4-7-14-10-12(2)11-16-13-5-8-15(3)9-6-13/h12-14H,4-11H2,1-3H3
InChIKeyYLCQSOVGSIBSNY-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 114998676
2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine
CID 62441062
2-methyl-3-(oxolan-3-yloxy)-N-propylpropan-1-amine
CID 103074792
3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine
CID 103074781
2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]propan-1-amine
CID 62442619
3-methoxy-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62657183
2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine
CID 114200185
N-[[5-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728754
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol
CID 43165778
4-butoxy-1-methylpiperidine;ethane
CID 143443948
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine?
The IUPAC name of 2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine (CID 115003113) is 2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine?
The canonical SMILES for 2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine is CCCNCC(C)COC1CCN(C)CC1.
What is the InChIKey of 2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine?
The InChIKey is YLCQSOVGSIBSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-14-10-12(2)11-16-13-5-8-15(3)9-6-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine?
2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine is sourced from PubChem (CID 115003113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).