2-(3-methoxypropyl)-2-propan-2-ylpiperidine

C12H25NO — CID 117271103

IUPAC2-(3-methoxypropyl)-2-propan-2-ylpiperidine
SMILESCOCCCC1(C(C)C)CCCCN1
InChIInChI=1S/C12H25NO/c1-11(2)12(8-6-10-14-3)7-4-5-9-13-12/h11,13H,4-10H2,1-3H3
InChIKeyARPYWTHOIVDEHJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds5

About 2-(3-methoxypropyl)-2-propan-2-ylpiperidine

2-(3-methoxypropyl)-2-propan-2-ylpiperidine (PubChem CID 117271103) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-2-propan-2-ylpiperidine
PubChem CID117271103
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(3-methoxypropyl)-2-propan-2-ylpiperidine
SMILESCOCCCC1(C(C)C)CCCCN1
InChIInChI=1S/C12H25NO/c1-11(2)12(8-6-10-14-3)7-4-5-9-13-12/h11,13H,4-10H2,1-3H3
InChIKeyARPYWTHOIVDEHJ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
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-(2-methoxyethyl)-2-propan-2-ylpiperidine
CID 117271109
2-pentyl-2-propan-2-ylazepane
CID 79119110
2-dodecyl-2-propan-2-ylpyrrolidine
CID 66468316
2-(4-methoxybutyl)-2-methylpiperidine
CID 117271567
2-ethyl-2-propan-2-ylazepane
CID 79117006
2-propan-2-yl-2-(3,3,3-trifluoropropyl)azepane
CID 79117029
2-(2-methylpropyl)-2-propan-2-ylazepane
CID 79119427
2-propan-2-yl-2-(propan-2-yloxymethyl)azepane
CID 79569057
2-propan-2-yl-2-(2-pyrrolidin-2-ylethyl)piperidine
CID 117271627
1-methyl-2-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine
CID 117271649
(2-propan-2-ylpyrrolidin-2-yl)methanol
CID 84648893
2-but-2-ynyl-2-propan-2-ylazepane
CID 79117232

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-2-propan-2-ylpiperidine?
The IUPAC name of 2-(3-methoxypropyl)-2-propan-2-ylpiperidine (CID 117271103) is 2-(3-methoxypropyl)-2-propan-2-ylpiperidine.
What is the SMILES notation for 2-(3-methoxypropyl)-2-propan-2-ylpiperidine?
The canonical SMILES for 2-(3-methoxypropyl)-2-propan-2-ylpiperidine is COCCCC1(C(C)C)CCCCN1.
What is the InChIKey of 2-(3-methoxypropyl)-2-propan-2-ylpiperidine?
The InChIKey is ARPYWTHOIVDEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)12(8-6-10-14-3)7-4-5-9-13-12/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-(3-methoxypropyl)-2-propan-2-ylpiperidine?
2-(3-methoxypropyl)-2-propan-2-ylpiperidine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-2-propan-2-ylpiperidine is sourced from PubChem (CID 117271103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).