(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol

C12H25NO2 — CID 98759209

IUPAC(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol
SMILESCC(C)OCCN1CCCC[C@@H]1[C@H](C)O
InChIInChI=1S/C12H25NO2/c1-10(2)15-9-8-13-7-5-4-6-12(13)11(3)14/h10-12,14H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyJEUAUMTTZSWWEY-NWDGAFQWSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds5

About (1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol

(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol (PubChem CID 98759209) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol
PubChem CID98759209
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol
SMILESCC(C)OCCN1CCCC[C@@H]1[C@H](C)O
InChIInChI=1S/C12H25NO2/c1-10(2)15-9-8-13-7-5-4-6-12(13)11(3)14/h10-12,14H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyJEUAUMTTZSWWEY-NWDGAFQWSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol (CID 98759209) is (1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol is CC(C)OCCN1CCCC[C@@H]1[C@H](C)O.
What is the InChIKey of (1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol?
The InChIKey is JEUAUMTTZSWWEY-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)15-9-8-13-7-5-4-6-12(13)11(3)14/h10-12,14H,4-9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol?
(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 98759209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).