3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine

C13H22FN3O — CID 113462374

IUPAC3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine
SMILESCCCn1ccnc1C(C)(F)CC1COCCN1
InChIInChI=1S/C13H22FN3O/c1-3-6-17-7-4-16-12(17)13(2,14)9-11-10-18-8-5-15-11/h4,7,11,15H,3,5-6,8-10H2,1-2H3
InChIKeyWCPJKOHZHMEPBK-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.86
Rot. Bonds5

About 3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine

3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine (PubChem CID 113462374) has the molecular formula C13H22FN3O and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine.

Molecular Properties

Compound Name3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine
PubChem CID113462374
Molecular FormulaC13H22FN3O
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine
SMILESCCCn1ccnc1C(C)(F)CC1COCCN1
InChIInChI=1S/C13H22FN3O/c1-3-6-17-7-4-16-12(17)13(2,14)9-11-10-18-8-5-15-11/h4,7,11,15H,3,5-6,8-10H2,1-2H3
InChIKeyWCPJKOHZHMEPBK-UHFFFAOYSA-N
XLogP1.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methyl-1H-imidazol-2-yl)(oxan-4-yl)methanamine
CID 65334856
2-(1-methyl-1H-imidazol-2-yl)oxan-4-amine
CID 121553057
(3S*,4R*)-1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-3-methoxypiperidin-4-amine
CID 56865631
[(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-piperidinyl)methyl]methylamine dihydrochloride
CID 74247070
(3S)-4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine
CID 95120212
(3S)-3-ethyl-N-[4-(2-methylimidazol-1-yl)butyl]morpholine-4-carboxamide
CID 95965407
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 124616644
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide
CID 125445340
N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
CID 164632192
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 43111975
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine
CID 43534058
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine
CID 54906222

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine?
The IUPAC name of 3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine (CID 113462374) is 3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine.
What is the SMILES notation for 3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine?
The canonical SMILES for 3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine is CCCn1ccnc1C(C)(F)CC1COCCN1.
What is the InChIKey of 3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine?
The InChIKey is WCPJKOHZHMEPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O/c1-3-6-17-7-4-16-12(17)13(2,14)9-11-10-18-8-5-15-11/h4,7,11,15H,3,5-6,8-10H2,1-2H3.
What are the key properties of 3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine?
3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine has a molecular weight of 255.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine is sourced from PubChem (CID 113462374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).