[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride

C19H24Cl2FN3O — CID 119467502

IUPAC[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.NCC1CCCCN1C(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C19H22FN3O.2ClH/c20-13-6-7-17-15(9-13)16(10-18(22-17)12-4-5-12)19(24)23-8-2-1-3-14(23)11-21;;/h6-7,9-10,12,14H,1-5,8,11,21H2;2*1H
InChIKeyLDCJYBQJXKXHLY-UHFFFAOYSA-N
MW400.33 g/mol
LogP4.05
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride

[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride (PubChem CID 119467502) has the molecular formula C19H24Cl2FN3O and a molecular weight of 400.33 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
PubChem CID119467502
Molecular FormulaC19H24Cl2FN3O
Molecular Weight400.33 g/mol
Exact Mass399.13
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.NCC1CCCCN1C(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C19H22FN3O.2ClH/c20-13-6-7-17-15(9-13)16(10-18(22-17)12-4-5-12)19(24)23-8-2-1-3-14(23)11-21;;/h6-7,9-10,12,14H,1-5,8,11,21H2;2*1H
InChIKeyLDCJYBQJXKXHLY-UHFFFAOYSA-N
XLogP4.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride with MolForge

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119632453
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119378902
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119468080
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 113265487
[(2R)-2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 97433787
[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 72838827
[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119561347
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 119633241
(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120537401
[2-(aminomethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 119468617

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride (CID 119467502) is [2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride is Cl.Cl.NCC1CCCCN1C(=O)c1cc(C2CC2)nc2ccc(F)cc12.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is LDCJYBQJXKXHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O.2ClH/c20-13-6-7-17-15(9-13)16(10-18(22-17)12-4-5-12)19(24)23-8-2-1-3-14(23)11-21;;/h6-7,9-10,12,14H,1-5,8,11,21H2;2*1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride?
[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 400.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119467502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).