4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene

C20H31NO2 — CID 176665322

IUPAC4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene
SMILESC=CC=C.CC1CN(Cc2ccccc2)CC(CCCCO)O1
InChIInChI=1S/C16H25NO2.C4H6/c1-14-11-17(12-15-7-3-2-4-8-15)13-16(19-14)9-5-6-10-18;1-3-4-2/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3;3-4H,1-2H2
InChIKeyHQAVOKTYXSUNCS-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.80
Rot. Bonds7

About 4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene

4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene (PubChem CID 176665322) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene.

Molecular Properties

Compound Name4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene
PubChem CID176665322
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene
SMILESC=CC=C.CC1CN(Cc2ccccc2)CC(CCCCO)O1
InChIInChI=1S/C16H25NO2.C4H6/c1-14-11-17(12-15-7-3-2-4-8-15)13-16(19-14)9-5-6-10-18;1-3-4-2/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3;3-4H,1-2H2
InChIKeyHQAVOKTYXSUNCS-UHFFFAOYSA-N
XLogP3.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-2-ethyl-6-methylmorpholine
CID 67357185
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
CID 102933414
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal
CID 102936299
[6-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methanol
CID 102936044
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935603
[4-(1H-benzimidazol-2-ylmethyl)-6-methylmorpholin-2-yl]methanol
CID 102935708
[6-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanol
CID 102935895
[(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol
CID 139343303
4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936655
2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
CID 102936755

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene?
The IUPAC name of 4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene (CID 176665322) is 4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene.
What is the SMILES notation for 4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene?
The canonical SMILES for 4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene is C=CC=C.CC1CN(Cc2ccccc2)CC(CCCCO)O1.
What is the InChIKey of 4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene?
The InChIKey is HQAVOKTYXSUNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.C4H6/c1-14-11-17(12-15-7-3-2-4-8-15)13-16(19-14)9-5-6-10-18;1-3-4-2/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3;3-4H,1-2H2.
What are the key properties of 4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene?
4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene has a molecular weight of 317.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-6-methylmorpholin-2-yl)butan-1-ol;buta-1,3-diene is sourced from PubChem (CID 176665322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).