(6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

C15H21Cl2FN4O — CID 119542588

IUPAC(6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1.Cl.Cl
InChIInChI=1S/C15H19FN4O.2ClH/c1-17-8-10-2-4-20(5-3-10)15(21)12-6-11(16)7-13-14(12)19-9-18-13;;/h6-7,9-10,17H,2-5,8H2,1H3,(H,18,19);2*1H
InChIKeyPNLUSOIUGQHVMJ-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.62
Rot. Bonds3

About (6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

(6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119542588) has the molecular formula C15H21Cl2FN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is (6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119542588
Molecular FormulaC15H21Cl2FN4O
Molecular Weight363.26 g/mol
Exact Mass362.11
IUPAC Name(6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1.Cl.Cl
InChIInChI=1S/C15H19FN4O.2ClH/c1-17-8-10-2-4-20(5-3-10)15(21)12-6-11(16)7-13-14(12)19-9-18-13;;/h6-7,9-10,17H,2-5,8H2,1H3,(H,18,19);2*1H
InChIKeyPNLUSOIUGQHVMJ-UHFFFAOYSA-N
XLogP2.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119394746
(4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 119372809
(2,5-difluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543787
(6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576176
(6-fluoro-1H-benzimidazol-4-yl)-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95345286
(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248375
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540009
(2-amino-5-fluoro-3-nitrophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544910
(4,5-difluoro-2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543684
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427531
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427532
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (CID 119542588) is (6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is CNCC1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1.Cl.Cl.
What is the InChIKey of (6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is PNLUSOIUGQHVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O.2ClH/c1-17-8-10-2-4-20(5-3-10)15(21)12-6-11(16)7-13-14(12)19-9-18-13;;/h6-7,9-10,17H,2-5,8H2,1H3,(H,18,19);2*1H.
What are the key properties of (6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
(6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 363.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119542588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).