(3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine

C19H27FN4O — CID 171359733

IUPAC(3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine
SMILESC[C@H]1COCCN1CCN1CCC(c2nc3c(F)cccc3[nH]2)CC1
InChIInChI=1S/C19H27FN4O/c1-14-13-25-12-11-24(14)10-9-23-7-5-15(6-8-23)19-21-17-4-2-3-16(20)18(17)22-19/h2-4,14-15H,5-13H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyIMASIZDBZJEVTR-AWEZNQCLSA-N
MW346.45 g/mol
LogP2.60
Rot. Bonds4

About (3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine

(3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine (PubChem CID 171359733) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is (3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine
PubChem CID171359733
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name(3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine
SMILESC[C@H]1COCCN1CCN1CCC(c2nc3c(F)cccc3[nH]2)CC1
InChIInChI=1S/C19H27FN4O/c1-14-13-25-12-11-24(14)10-9-23-7-5-15(6-8-23)19-21-17-4-2-3-16(20)18(17)22-19/h2-4,14-15H,5-13H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyIMASIZDBZJEVTR-AWEZNQCLSA-N
XLogP2.60
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-piperidin-4-yl-1H-benzimidazole
CID 54592970
2-(2,3-dihydro-1H-inden-2-yl)-4-fluoro-1H-benzimidazole
CID 106893168
3-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 66030987
1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62644652
4-fluoro-2-(thian-2-yl)-1H-benzimidazole
CID 80596390
[2-(oxan-3-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721251
1-(2-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 62619030
1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 115996756
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol
CID 110931038
2-cyclopropyl-4-ethyl-1H-benzimidazole
CID 91216645
ethyl 3-[2-(1-propylpiperidin-4-yl)-1H-benzimidazol-4-yl]prop-2-enoate
CID 171340298

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine (CID 171359733) is (3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine is C[C@H]1COCCN1CCN1CCC(c2nc3c(F)cccc3[nH]2)CC1.
What is the InChIKey of (3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine?
The InChIKey is IMASIZDBZJEVTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-14-13-25-12-11-24(14)10-9-23-7-5-15(6-8-23)19-21-17-4-2-3-16(20)18(17)22-19/h2-4,14-15H,5-13H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine?
(3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine has a molecular weight of 346.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-[4-(4-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]-3-methylmorpholine is sourced from PubChem (CID 171359733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).