4-[(3S)-3-phenylbutyl]morpholin-4-ium

C14H22NO+ — CID 6938412

IUPAC4-[(3S)-3-phenylbutyl]morpholin-4-ium
SMILESC[C@@H](CC[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-13(14-5-3-2-4-6-14)7-8-15-9-11-16-12-10-15/h2-6,13H,7-12H2,1H3/p+1/t13-/m0/s1
InChIKeyNLMUTNTVABGYTP-ZDUSSCGKSA-O
MW220.34 g/mol
LogP1.10
Rot. Bonds4

About 4-[(3S)-3-phenylbutyl]morpholin-4-ium

4-[(3S)-3-phenylbutyl]morpholin-4-ium (PubChem CID 6938412) has the molecular formula C14H22NO+ and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-[(3S)-3-phenylbutyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(3S)-3-phenylbutyl]morpholin-4-ium
PubChem CID6938412
Molecular FormulaC14H22NO+
Molecular Weight220.34 g/mol
Exact Mass220.17
IUPAC Name4-[(3S)-3-phenylbutyl]morpholin-4-ium
SMILESC[C@@H](CC[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-13(14-5-3-2-4-6-14)7-8-15-9-11-16-12-10-15/h2-6,13H,7-12H2,1H3/p+1/t13-/m0/s1
InChIKeyNLMUTNTVABGYTP-ZDUSSCGKSA-O
XLogP1.10
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2R)-2-phenylpropyl]morpholin-4-ium
CID 6938323
1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1R)-1-phenylethyl]thiourea
CID 9231849
[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium
CID 6927909
N-(2-morpholin-4-ium-4-ylethyl)-3,3-diphenylpropanamide
CID 6919320
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]morpholin-4-ium
CID 7436889
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
pentan-2-ylbenzene
CID 17627
4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]morpholin-4-ium
CID 7381404
N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
CID 62986615
4-chlorobutan-2-ylbenzene
CID 570466
4,7-diphenyloctan-2-ylbenzene
CID 21184937
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844896

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-phenylbutyl]morpholin-4-ium?
The IUPAC name of 4-[(3S)-3-phenylbutyl]morpholin-4-ium (CID 6938412) is 4-[(3S)-3-phenylbutyl]morpholin-4-ium.
What is the SMILES notation for 4-[(3S)-3-phenylbutyl]morpholin-4-ium?
The canonical SMILES for 4-[(3S)-3-phenylbutyl]morpholin-4-ium is C[C@@H](CC[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[(3S)-3-phenylbutyl]morpholin-4-ium?
The InChIKey is NLMUTNTVABGYTP-ZDUSSCGKSA-O. The full InChI is InChI=1S/C14H21NO/c1-13(14-5-3-2-4-6-14)7-8-15-9-11-16-12-10-15/h2-6,13H,7-12H2,1H3/p+1/t13-/m0/s1.
What are the key properties of 4-[(3S)-3-phenylbutyl]morpholin-4-ium?
4-[(3S)-3-phenylbutyl]morpholin-4-ium has a molecular weight of 220.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-phenylbutyl]morpholin-4-ium is sourced from PubChem (CID 6938412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).