(S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol

C18H23NO2 — CID 143010852

IUPAC(S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol
SMILESO[C@@H](C1=CCCC=C1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H23NO2/c20-18(16-9-5-2-6-10-16)17-14-19(11-12-21-17)13-15-7-3-1-4-8-15/h1,3-5,7-10,17-18,20H,2,6,11-14H2/t17-,18-/m0/s1
InChIKeyWLVBJHNLOINBBS-ROUUACIJSA-N
MW285.39 g/mol
LogP2.52
Rot. Bonds4

About (S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol

(S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol (PubChem CID 143010852) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol.

Molecular Properties

Compound Name(S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol
PubChem CID143010852
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol
SMILESO[C@@H](C1=CCCC=C1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H23NO2/c20-18(16-9-5-2-6-10-16)17-14-19(11-12-21-17)13-15-7-3-1-4-8-15/h1,3-5,7-10,17-18,20H,2,6,11-14H2/t17-,18-/m0/s1
InChIKeyWLVBJHNLOINBBS-ROUUACIJSA-N
XLogP2.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-[(2R)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997974
(R)-[(2S)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997973
[(2R)-4-benzylmorpholin-2-yl]-(4-fluorophenyl)methanol
CID 69431465
[(2R)-4-benzylmorpholin-2-yl]-(2-fluorophenyl)methanol
CID 69432470
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
CID 89203711
CID 89203711
(2R)-4-benzyl-2-[bromo-(4-chlorophenyl)methyl]morpholine
CID 69434313
4-benzyl-2-(tetrazolidin-5-yl)morpholine
CID 138059153
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
1-[[1-(4-benzylmorpholin-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 84587815
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981588
N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981589

Frequently Asked Questions

What is the IUPAC name of (S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol?
The IUPAC name of (S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol (CID 143010852) is (S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol.
What is the SMILES notation for (S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol?
The canonical SMILES for (S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol is O[C@@H](C1=CCCC=C1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol?
The InChIKey is WLVBJHNLOINBBS-ROUUACIJSA-N. The full InChI is InChI=1S/C18H23NO2/c20-18(16-9-5-2-6-10-16)17-14-19(11-12-21-17)13-15-7-3-1-4-8-15/h1,3-5,7-10,17-18,20H,2,6,11-14H2/t17-,18-/m0/s1.
What are the key properties of (S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol?
(S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol has a molecular weight of 285.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2S)-4-benzylmorpholin-2-yl]-cyclohexa-1,5-dien-1-ylmethanol is sourced from PubChem (CID 143010852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).