4-(2-butoxyethyl)-1-methylpiperidine

C12H25NO — CID 23544400

IUPAC4-(2-butoxyethyl)-1-methylpiperidine
SMILESCCCCOCCC1CCN(C)CC1
InChIInChI=1S/C12H25NO/c1-3-4-10-14-11-7-12-5-8-13(2)9-6-12/h12H,3-11H2,1-2H3
InChIKeyGAFLLGSQSHADSU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.54
Rot. Bonds6

About 4-(2-butoxyethyl)-1-methylpiperidine

4-(2-butoxyethyl)-1-methylpiperidine (PubChem CID 23544400) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(2-butoxyethyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2-butoxyethyl)-1-methylpiperidine
PubChem CID23544400
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(2-butoxyethyl)-1-methylpiperidine
SMILESCCCCOCCC1CCN(C)CC1
InChIInChI=1S/C12H25NO/c1-3-4-10-14-11-7-12-5-8-13(2)9-6-12/h12H,3-11H2,1-2H3
InChIKeyGAFLLGSQSHADSU-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.54
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

4-(2-Methoxyethyl)piperidine
CID 15172754
2-(1-Methylpiperidin-4-yl)ethan-1-ol
CID 15434835
N,1-dimethyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]-4-piperidinamine
CID 39741232
2-Diethylaminotetrahydropyran
CID 12349972
Dimethyl-(tetrahydro-pyran-4-ylmethyl)-amine
CID 58118759
4-(2-Methoxyethyl)-1-propylpiperidine
CID 134579822
3-Fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine
CID 126790286
4-Ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine
CID 144714352
1-Methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 154187285
1-[[3-(Ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3-fluoropiperidine
CID 166496608
1-[[3-(Ethoxymethyl)cyclobutyl]methyl]-4-ethyl-3,3-difluoropiperidine
CID 166496627
4-[[(2R)-2-fluorobutoxy]methyl]-1-methylpiperidine
CID 166537460

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethyl)-1-methylpiperidine?
The IUPAC name of 4-(2-butoxyethyl)-1-methylpiperidine (CID 23544400) is 4-(2-butoxyethyl)-1-methylpiperidine.
What is the SMILES notation for 4-(2-butoxyethyl)-1-methylpiperidine?
The canonical SMILES for 4-(2-butoxyethyl)-1-methylpiperidine is CCCCOCCC1CCN(C)CC1.
What is the InChIKey of 4-(2-butoxyethyl)-1-methylpiperidine?
The InChIKey is GAFLLGSQSHADSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-10-14-11-7-12-5-8-13(2)9-6-12/h12H,3-11H2,1-2H3.
What are the key properties of 4-(2-butoxyethyl)-1-methylpiperidine?
4-(2-butoxyethyl)-1-methylpiperidine has a molecular weight of 199.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethyl)-1-methylpiperidine is sourced from PubChem (CID 23544400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).