5-(3-methoxypropyl)-2-methylpiperidine

C10H21NO — CID 106781710

IUPAC5-(3-methoxypropyl)-2-methylpiperidine
SMILESCOCCCC1CCC(C)NC1
InChIInChI=1S/C10H21NO/c1-9-5-6-10(8-11-9)4-3-7-12-2/h9-11H,3-8H2,1-2H3
InChIKeyZMFVKCNXGJGMDX-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About 5-(3-methoxypropyl)-2-methylpiperidine

5-(3-methoxypropyl)-2-methylpiperidine (PubChem CID 106781710) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-(3-methoxypropyl)-2-methylpiperidine.

Molecular Properties

Compound Name5-(3-methoxypropyl)-2-methylpiperidine
PubChem CID106781710
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-(3-methoxypropyl)-2-methylpiperidine
SMILESCOCCCC1CCC(C)NC1
InChIInChI=1S/C10H21NO/c1-9-5-6-10(8-11-9)4-3-7-12-2/h9-11H,3-8H2,1-2H3
InChIKeyZMFVKCNXGJGMDX-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol
CID 172701028
2-methyl-5-(3-methylbutyl)piperidine
CID 104823506
5-(3-methoxy-3-methylbutyl)-2-methylpiperidine
CID 106777707
(5R)-5-ethyl-2-methylpiperidine
CID 89383563
4-(3-methoxypropyl)cyclohexan-1-amine;hydrochloride
CID 146675825
methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
CID 155820793
[(3R,6S)-6-methylpiperidin-3-yl]methanol
CID 96581848
[(3S,6S)-6-methylpiperidin-3-yl]methanol;hydrochloride
CID 166105009
5-(2-methoxyethoxy)-2,6-dimethylazepane
CID 169236804
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333
3-[3-(2-methoxyethoxy)propyl]piperidine
CID 103413398

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropyl)-2-methylpiperidine?
The IUPAC name of 5-(3-methoxypropyl)-2-methylpiperidine (CID 106781710) is 5-(3-methoxypropyl)-2-methylpiperidine.
What is the SMILES notation for 5-(3-methoxypropyl)-2-methylpiperidine?
The canonical SMILES for 5-(3-methoxypropyl)-2-methylpiperidine is COCCCC1CCC(C)NC1.
What is the InChIKey of 5-(3-methoxypropyl)-2-methylpiperidine?
The InChIKey is ZMFVKCNXGJGMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9-5-6-10(8-11-9)4-3-7-12-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 5-(3-methoxypropyl)-2-methylpiperidine?
5-(3-methoxypropyl)-2-methylpiperidine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropyl)-2-methylpiperidine is sourced from PubChem (CID 106781710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).