(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol

C12H18N2O2 — CID 124501974

IUPAC(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
SMILESCc1cc(N2CCOCC2)ncc1[C@H](C)O
InChIInChI=1S/C12H18N2O2/c1-9-7-12(13-8-11(9)10(2)15)14-3-5-16-6-4-14/h7-8,10,15H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyCKUJEAFGHKVNFU-JTQLQIEISA-N
MW222.29 g/mol
LogP1.28
Rot. Bonds2

About (1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol

(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol (PubChem CID 124501974) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
PubChem CID124501974
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
SMILESCc1cc(N2CCOCC2)ncc1[C@H](C)O
InChIInChI=1S/C12H18N2O2/c1-9-7-12(13-8-11(9)10(2)15)14-3-5-16-6-4-14/h7-8,10,15H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyCKUJEAFGHKVNFU-JTQLQIEISA-N
XLogP1.28
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol?
The IUPAC name of (1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol (CID 124501974) is (1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol.
What is the SMILES notation for (1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol?
The canonical SMILES for (1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol is Cc1cc(N2CCOCC2)ncc1[C@H](C)O.
What is the InChIKey of (1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol?
The InChIKey is CKUJEAFGHKVNFU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-7-12(13-8-11(9)10(2)15)14-3-5-16-6-4-14/h7-8,10,15H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol?
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol has a molecular weight of 222.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol is sourced from PubChem (CID 124501974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).