(2-benzyl-4-cyclohexylmorpholin-2-yl)methanol

C18H27NO2 — CID 155992732

IUPAC(2-benzyl-4-cyclohexylmorpholin-2-yl)methanol
SMILESOCC1(Cc2ccccc2)CN(C2CCCCC2)CCO1
InChIInChI=1S/C18H27NO2/c20-15-18(13-16-7-3-1-4-8-16)14-19(11-12-21-18)17-9-5-2-6-10-17/h1,3-4,7-8,17,20H,2,5-6,9-15H2
InChIKeyPNCJTMZWDWCIEC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.63
Rot. Bonds4

About (2-benzyl-4-cyclohexylmorpholin-2-yl)methanol

(2-benzyl-4-cyclohexylmorpholin-2-yl)methanol (PubChem CID 155992732) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (2-benzyl-4-cyclohexylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-4-cyclohexylmorpholin-2-yl)methanol
PubChem CID155992732
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(2-benzyl-4-cyclohexylmorpholin-2-yl)methanol
SMILESOCC1(Cc2ccccc2)CN(C2CCCCC2)CCO1
InChIInChI=1S/C18H27NO2/c20-15-18(13-16-7-3-1-4-8-16)14-19(11-12-21-18)17-9-5-2-6-10-17/h1,3-4,7-8,17,20H,2,5-6,9-15H2
InChIKeyPNCJTMZWDWCIEC-UHFFFAOYSA-N
XLogP2.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol
CID 155992738
(2-benzyloxolan-2-yl)methanol
CID 126987678
[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 132770482
[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 45171513
(2S)-4-cyclopentyl-2-(2-phenylethyl)morpholine
CID 25369976
4-cyclopentyl-2-(2-phenylethyl)morpholine
CID 45201663
[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 132649107
(2-benzyloxolan-2-yl)methanamine
CID 84772073
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 132777548
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone
CID 132649139
3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
CID 132765032

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4-cyclohexylmorpholin-2-yl)methanol?
The IUPAC name of (2-benzyl-4-cyclohexylmorpholin-2-yl)methanol (CID 155992732) is (2-benzyl-4-cyclohexylmorpholin-2-yl)methanol.
What is the SMILES notation for (2-benzyl-4-cyclohexylmorpholin-2-yl)methanol?
The canonical SMILES for (2-benzyl-4-cyclohexylmorpholin-2-yl)methanol is OCC1(Cc2ccccc2)CN(C2CCCCC2)CCO1.
What is the InChIKey of (2-benzyl-4-cyclohexylmorpholin-2-yl)methanol?
The InChIKey is PNCJTMZWDWCIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c20-15-18(13-16-7-3-1-4-8-16)14-19(11-12-21-18)17-9-5-2-6-10-17/h1,3-4,7-8,17,20H,2,5-6,9-15H2.
What are the key properties of (2-benzyl-4-cyclohexylmorpholin-2-yl)methanol?
(2-benzyl-4-cyclohexylmorpholin-2-yl)methanol has a molecular weight of 289.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4-cyclohexylmorpholin-2-yl)methanol is sourced from PubChem (CID 155992732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).