(1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol

C18H22N2O2 — CID 97438332

IUPAC(1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1cccc(-c2ccccc2CN2CCOCC2)n1
InChIInChI=1S/C18H22N2O2/c1-14(21)17-7-4-8-18(19-17)16-6-3-2-5-15(16)13-20-9-11-22-12-10-20/h2-8,14,21H,9-13H2,1H3/t14-/m0/s1
InChIKeyHLFHKXNXHPEHQK-AWEZNQCLSA-N
MW298.39 g/mol
LogP2.63
Rot. Bonds4

About (1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol

(1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol (PubChem CID 97438332) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol
PubChem CID97438332
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1cccc(-c2ccccc2CN2CCOCC2)n1
InChIInChI=1S/C18H22N2O2/c1-14(21)17-7-4-8-18(19-17)16-6-3-2-5-15(16)13-20-9-11-22-12-10-20/h2-8,14,21H,9-13H2,1H3/t14-/m0/s1
InChIKeyHLFHKXNXHPEHQK-AWEZNQCLSA-N
XLogP2.63
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol (CID 97438332) is (1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol is C[C@H](O)c1cccc(-c2ccccc2CN2CCOCC2)n1.
What is the InChIKey of (1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol?
The InChIKey is HLFHKXNXHPEHQK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(21)17-7-4-8-18(19-17)16-6-3-2-5-15(16)13-20-9-11-22-12-10-20/h2-8,14,21H,9-13H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol?
(1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol has a molecular weight of 298.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[2-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]ethanol is sourced from PubChem (CID 97438332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).