[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol

C13H27NO2 — CID 61355562

IUPAC[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol
SMILESCC(C)CCOCCN1CCCCC1CO
InChIInChI=1S/C13H27NO2/c1-12(2)6-9-16-10-8-14-7-4-3-5-13(14)11-15/h12-13,15H,3-11H2,1-2H3
InChIKeyXWLZCTAPYPSVMT-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.90
Rot. Bonds7

About [1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol

[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol (PubChem CID 61355562) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol
PubChem CID61355562
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol
SMILESCC(C)CCOCCN1CCCCC1CO
InChIInChI=1S/C13H27NO2/c1-12(2)6-9-16-10-8-14-7-4-3-5-13(14)11-15/h12-13,15H,3-11H2,1-2H3
InChIKeyXWLZCTAPYPSVMT-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013980
[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol
CID 100627976
[(2S)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]methanol
CID 175634207
N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine
CID 62580582
[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
CID 62735847
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581454
[1-(2-cycloheptyloxyethyl)piperidin-2-yl]methanol
CID 111448204
2-(1,3-dioxolan-2-yl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 56554927
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol (CID 61355562) is [1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol is CC(C)CCOCCN1CCCCC1CO.
What is the InChIKey of [1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol?
The InChIKey is XWLZCTAPYPSVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2)6-9-16-10-8-14-7-4-3-5-13(14)11-15/h12-13,15H,3-11H2,1-2H3.
What are the key properties of [1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol?
[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol has a molecular weight of 229.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 61355562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).