[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol

C12H25NO2 — CID 100627976

IUPAC[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol
SMILESCC(C)COCCN1CCCC[C@@H]1CO
InChIInChI=1S/C12H25NO2/c1-11(2)10-15-8-7-13-6-4-3-5-12(13)9-14/h11-12,14H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyLNYGYHMPQQKMQY-GFCCVEGCSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds6

About [(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol

[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol (PubChem CID 100627976) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is [(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol
PubChem CID100627976
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol
SMILESCC(C)COCCN1CCCC[C@@H]1CO
InChIInChI=1S/C12H25NO2/c1-11(2)10-15-8-7-13-6-4-3-5-12(13)9-14/h11-12,14H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyLNYGYHMPQQKMQY-GFCCVEGCSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
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]piperidin-2-yl]methanol
CID 61355562
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine
CID 106455021
[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013980
[(2S)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]methanol
CID 175634207
2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457738
2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid
CID 106454643
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
[1-(2-cycloheptyloxyethyl)piperidin-2-yl]methanol
CID 111448204
[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
CID 62735847
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol
CID 106460190
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol (CID 100627976) is [(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol is CC(C)COCCN1CCCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol?
The InChIKey is LNYGYHMPQQKMQY-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)10-15-8-7-13-6-4-3-5-12(13)9-14/h11-12,14H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol?
[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 100627976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).