N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine

C13H28N2O — CID 142615867

IUPACN-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine
SMILESCCCN(C)CCOCC1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-4-7-14(2)10-11-16-12-13-5-8-15(3)9-6-13/h13H,4-12H2,1-3H3
InChIKeyXVTOPHJHQMRNSA-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.69
Rot. Bonds7

About N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine

N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine (PubChem CID 142615867) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine
PubChem CID142615867
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine
SMILESCCCN(C)CCOCC1CCN(C)CC1
InChIInChI=1S/C13H28N2O/c1-4-7-14(2)10-11-16-12-13-5-8-15(3)9-6-13/h13H,4-12H2,1-3H3
InChIKeyXVTOPHJHQMRNSA-UHFFFAOYSA-N
XLogP1.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine?
The IUPAC name of N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine (CID 142615867) is N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine is CCCN(C)CCOCC1CCN(C)CC1.
What is the InChIKey of N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine?
The InChIKey is XVTOPHJHQMRNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-14(2)10-11-16-12-13-5-8-15(3)9-6-13/h13H,4-12H2,1-3H3.
What are the key properties of N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine?
N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine is sourced from PubChem (CID 142615867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).