2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane

C13H30N2O — CID 168880956

IUPAC2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane
SMILESCCC.COCC1CC(N(C)C)CCN1C
InChIInChI=1S/C10H22N2O.C3H8/c1-11(2)9-5-6-12(3)10(7-9)8-13-4;1-3-2/h9-10H,5-8H2,1-4H3;3H2,1-2H3
InChIKeyMDSNJFPTLYOKOX-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.07
Rot. Bonds3

About 2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane

2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane (PubChem CID 168880956) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane.

Molecular Properties

Compound Name2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane
PubChem CID168880956
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane
SMILESCCC.COCC1CC(N(C)C)CCN1C
InChIInChI=1S/C10H22N2O.C3H8/c1-11(2)9-5-6-12(3)10(7-9)8-13-4;1-3-2/h9-10H,5-8H2,1-4H3;3H2,1-2H3
InChIKeyMDSNJFPTLYOKOX-UHFFFAOYSA-N
XLogP2.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine, 2-((2-(dimethylamino)ethoxy)methyl)-1-methyl-
CID 3064888
Piperidine, 2-((2-(diethylamino)ethoxy)methyl)-1-methyl-
CID 3087276
Piperidine, 1-methyl-2-((2-(1-pyrrolidinyl)ethoxy)methyl)-
CID 3063349
Piperidine, 2-((3-(dimethylamino)propoxy)methyl)-1-methyl-
CID 3064706
2-(Difluoromethoxymethyl)-1-ethylpiperidine
CID 130226126
N-(2-fluoroethyl)-N-[(2R)-4-fluoro-1-methoxybutan-2-yl]-1-methylpiperidin-4-amine
CID 135170116
2-(Ethoxymethyl)-4-fluoro-1-methylpiperidine
CID 170767196
5,5-Difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane
CID 176568011
5,5-Difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane
CID 176568455
1,1-Dimethyl-2-((2-(trimethylammonio)ethoxy)methyl)piperidinium diiodide
CID 3030685
1,1-Dimethyl-2-((3-(trimethylammonio)propoxy)methyl)piperidinium dibromide
CID 3030689
1-Methyl-1-(oxan-3-yl)piperidin-1-ium
CID 3049314

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane?
The IUPAC name of 2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane (CID 168880956) is 2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane.
What is the SMILES notation for 2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane?
The canonical SMILES for 2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane is CCC.COCC1CC(N(C)C)CCN1C.
What is the InChIKey of 2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane?
The InChIKey is MDSNJFPTLYOKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C3H8/c1-11(2)9-5-6-12(3)10(7-9)8-13-4;1-3-2/h9-10H,5-8H2,1-4H3;3H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane?
2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane has a molecular weight of 230.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N,N,1-trimethylpiperidin-4-amine;propane is sourced from PubChem (CID 168880956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).