4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine

C16H21FN4O — CID 21050413

IUPAC4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine
SMILESFc1ccc2c(c1)nc(N1CCOCC1)n2C1CCNCC1
InChIInChI=1S/C16H21FN4O/c17-12-1-2-15-14(11-12)19-16(20-7-9-22-10-8-20)21(15)13-3-5-18-6-4-13/h1-2,11,13,18H,3-10H2
InChIKeyINEYNEHQZFTQSS-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.94
Rot. Bonds2

About 4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine

4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine (PubChem CID 21050413) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine
PubChem CID21050413
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine
SMILESFc1ccc2c(c1)nc(N1CCOCC1)n2C1CCNCC1
InChIInChI=1S/C16H21FN4O/c17-12-1-2-15-14(11-12)19-16(20-7-9-22-10-8-20)21(15)13-3-5-18-6-4-13/h1-2,11,13,18H,3-10H2
InChIKeyINEYNEHQZFTQSS-UHFFFAOYSA-N
XLogP1.94
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone
CID 72858986
2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole
CID 59360903
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid
CID 102689586
5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine
CID 170911669
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
3-chloro-6-fluoro-9-piperidin-4-ylcarbazole
CID 137447183
4-[4-cyclopropyl-5-[(1R)-1-(2,4-difluorophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine
CID 52505096
1-cyclopropyl-5-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144709
5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793876
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine?
The IUPAC name of 4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine (CID 21050413) is 4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine?
The canonical SMILES for 4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine is Fc1ccc2c(c1)nc(N1CCOCC1)n2C1CCNCC1.
What is the InChIKey of 4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine?
The InChIKey is INEYNEHQZFTQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c17-12-1-2-15-14(11-12)19-16(20-7-9-22-10-8-20)21(15)13-3-5-18-6-4-13/h1-2,11,13,18H,3-10H2.
What are the key properties of 4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine?
4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine has a molecular weight of 304.37 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine is sourced from PubChem (CID 21050413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).