2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol

C12H25NO2 — CID 106937966

IUPAC2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
SMILESCC(C)(O)CCOCCC1CCCCN1
InChIInChI=1S/C12H25NO2/c1-12(2,14)7-10-15-9-6-11-5-3-4-8-13-11/h11,13-14H,3-10H2,1-2H3
InChIKeyPFJHQMQJLUBFBJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.70
Rot. Bonds6

About 2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol

2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol (PubChem CID 106937966) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
PubChem CID106937966
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
SMILESCC(C)(O)CCOCCC1CCCCN1
InChIInChI=1S/C12H25NO2/c1-12(2,14)7-10-15-9-6-11-5-3-4-8-13-11/h11,13-14H,3-10H2,1-2H3
InChIKeyPFJHQMQJLUBFBJ-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol
CID 143395873
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 10797616
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
2-(2-octadecoxyethyl)piperidine
CID 140997929
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898
tert-butyl 2-(2-piperidin-2-ylethoxy)acetate
CID 71057140
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628
2-methyl-3-(2-piperidin-2-ylethoxy)propan-1-ol
CID 106937955
N,N-dimethyl-4-(2-piperidin-2-ylethoxy)butanamide
CID 55065440
2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine
CID 62341420

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol?
The IUPAC name of 2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol (CID 106937966) is 2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol?
The canonical SMILES for 2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol is CC(C)(O)CCOCCC1CCCCN1.
What is the InChIKey of 2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol?
The InChIKey is PFJHQMQJLUBFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,14)7-10-15-9-6-11-5-3-4-8-13-11/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol?
2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol is sourced from PubChem (CID 106937966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).