2-[2-(3-methylbutoxy)ethyl]piperidine

C12H25NO — CID 43149946

IUPAC2-[2-(3-methylbutoxy)ethyl]piperidine
SMILESCC(C)CCOCCC1CCCCN1
InChIInChI=1S/C12H25NO/c1-11(2)6-9-14-10-7-12-5-3-4-8-13-12/h11-13H,3-10H2,1-2H3
InChIKeyZJDLMUBGCDJNJB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About 2-[2-(3-methylbutoxy)ethyl]piperidine

2-[2-(3-methylbutoxy)ethyl]piperidine (PubChem CID 43149946) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[2-(3-methylbutoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(3-methylbutoxy)ethyl]piperidine
PubChem CID43149946
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[2-(3-methylbutoxy)ethyl]piperidine
SMILESCC(C)CCOCCC1CCCCN1
InChIInChI=1S/C12H25NO/c1-11(2)6-9-14-10-7-12-5-3-4-8-13-12/h11-13H,3-10H2,1-2H3
InChIKeyZJDLMUBGCDJNJB-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
(2S)-2-(3-methylbutyl)piperidine
CID 94379266
2-[2-(3,3-diethoxypropoxy)ethyl]piperidine
CID 113320298
2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633835
N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide
CID 62211487
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
(2S)-2-(2-propan-2-yloxyethyl)piperidine
CID 28802472
2-(2-octadecoxyethyl)piperidine
CID 140997929
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898
2-methyl-3-(2-piperidin-2-ylethoxy)propan-1-ol
CID 106937955
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butan-1-amine
CID 61429136
2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
CID 106937966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(3-methylbutoxy)ethyl]piperidine (CID 43149946) is 2-[2-(3-methylbutoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(3-methylbutoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(3-methylbutoxy)ethyl]piperidine is CC(C)CCOCCC1CCCCN1.
What is the InChIKey of 2-[2-(3-methylbutoxy)ethyl]piperidine?
The InChIKey is ZJDLMUBGCDJNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)6-9-14-10-7-12-5-3-4-8-13-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[2-(3-methylbutoxy)ethyl]piperidine?
2-[2-(3-methylbutoxy)ethyl]piperidine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutoxy)ethyl]piperidine is sourced from PubChem (CID 43149946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).