2-methyl-6-(propoxymethyl)piperidine

C10H21NO — CID 106780384

IUPAC2-methyl-6-(propoxymethyl)piperidine
SMILESCCCOCC1CCCC(C)N1
InChIInChI=1S/C10H21NO/c1-3-7-12-8-10-6-4-5-9(2)11-10/h9-11H,3-8H2,1-2H3
InChIKeyOVUSDRJYKJSOQP-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds4

About 2-methyl-6-(propoxymethyl)piperidine

2-methyl-6-(propoxymethyl)piperidine (PubChem CID 106780384) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-6-(propoxymethyl)piperidine.

Molecular Properties

Compound Name2-methyl-6-(propoxymethyl)piperidine
PubChem CID106780384
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-6-(propoxymethyl)piperidine
SMILESCCCOCC1CCCC(C)N1
InChIInChI=1S/C10H21NO/c1-3-7-12-8-10-6-4-5-9(2)11-10/h9-11H,3-8H2,1-2H3
InChIKeyOVUSDRJYKJSOQP-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(propoxymethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-2-methyl-6-propylpiperidine;hydrochloride
CID 70018232
2-(2-methoxyethyl)-6-methylpiperidine
CID 130900787
[(2R,6R)-6-methylpiperidin-2-yl]methanol
CID 10820546
(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
CID 24774422
2-(2-propoxyethoxymethyl)piperidine
CID 63684377
(2S,6R)-2-methyl-6-nonylpiperidine;hydrochloride
CID 71739126
(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride
CID 24773513
2-(2-ethylbutyl)-6-methylpiperidine
CID 106781072
N-ethyl-N-[(6-methylpiperidin-2-yl)methyl]ethanamine
CID 54855572
2-(2-cyclopropylethyl)-6-methylpiperidine
CID 106779887
4-(propoxymethyl)imidazolidin-2-one
CID 139889576
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(propoxymethyl)piperidine?
The IUPAC name of 2-methyl-6-(propoxymethyl)piperidine (CID 106780384) is 2-methyl-6-(propoxymethyl)piperidine.
What is the SMILES notation for 2-methyl-6-(propoxymethyl)piperidine?
The canonical SMILES for 2-methyl-6-(propoxymethyl)piperidine is CCCOCC1CCCC(C)N1.
What is the InChIKey of 2-methyl-6-(propoxymethyl)piperidine?
The InChIKey is OVUSDRJYKJSOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-7-12-8-10-6-4-5-9(2)11-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-6-(propoxymethyl)piperidine?
2-methyl-6-(propoxymethyl)piperidine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(propoxymethyl)piperidine is sourced from PubChem (CID 106780384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).