1-methyl-3-(propoxymethyl)piperidine

C10H21NO — CID 148501632

IUPAC1-methyl-3-(propoxymethyl)piperidine
SMILESCCCOCC1CCCN(C)C1
InChIInChI=1S/C10H21NO/c1-3-7-12-9-10-5-4-6-11(2)8-10/h10H,3-9H2,1-2H3
InChIKeyXRJAZTXDVUEZEV-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds4

About 1-methyl-3-(propoxymethyl)piperidine

1-methyl-3-(propoxymethyl)piperidine (PubChem CID 148501632) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-methyl-3-(propoxymethyl)piperidine.

Molecular Properties

Compound Name1-methyl-3-(propoxymethyl)piperidine
PubChem CID148501632
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-methyl-3-(propoxymethyl)piperidine
SMILESCCCOCC1CCCN(C)C1
InChIInChI=1S/C10H21NO/c1-3-7-12-9-10-5-4-6-11(2)8-10/h10H,3-9H2,1-2H3
InChIKeyXRJAZTXDVUEZEV-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
ethane;3-ethyl-1-methylpiperidine
CID 142833851
3-(ethenoxymethyl)-1-methylpiperidine
CID 122664385
3-butyl-1-methylpiperidine;hydrofluoride
CID 175875067
(3R)-1-methyl-3-pentylpiperidine
CID 143571155
1-methyl-3-(methylsulfanylmethyl)piperidine
CID 58701366
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
CID 142888421
[4-(propoxymethyl)piperidin-1-yl]methanamine
CID 155739261
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(propoxymethyl)piperidine?
The IUPAC name of 1-methyl-3-(propoxymethyl)piperidine (CID 148501632) is 1-methyl-3-(propoxymethyl)piperidine.
What is the SMILES notation for 1-methyl-3-(propoxymethyl)piperidine?
The canonical SMILES for 1-methyl-3-(propoxymethyl)piperidine is CCCOCC1CCCN(C)C1.
What is the InChIKey of 1-methyl-3-(propoxymethyl)piperidine?
The InChIKey is XRJAZTXDVUEZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-7-12-9-10-5-4-6-11(2)8-10/h10H,3-9H2,1-2H3.
What are the key properties of 1-methyl-3-(propoxymethyl)piperidine?
1-methyl-3-(propoxymethyl)piperidine has a molecular weight of 171.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propoxymethyl)piperidine is sourced from PubChem (CID 148501632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).