(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride

C12H15Cl2FN2O — CID 119377764

IUPAC(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C12H14ClFN2O.ClH/c13-8-3-4-10(11(14)6-8)12(17)16-5-1-2-9(15)7-16;/h3-4,6,9H,1-2,5,7,15H2;1H
InChIKeyFGMAHWMXRHQBJI-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.46
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride (PubChem CID 119377764) has the molecular formula C12H15Cl2FN2O and a molecular weight of 293.17 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
PubChem CID119377764
Molecular FormulaC12H15Cl2FN2O
Molecular Weight293.17 g/mol
Exact Mass292.05
IUPAC Name(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C12H14ClFN2O.ClH/c13-8-3-4-10(11(14)6-8)12(17)16-5-1-2-9(15)7-16;/h3-4,6,9H,1-2,5,7,15H2;1H
InChIKeyFGMAHWMXRHQBJI-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119464843
(4-chloro-2-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395341
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
(3-aminopiperidin-1-yl)-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119380155
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
(3-aminopyrrolidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103840749
(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
CID 119378772
(3-aminopiperidin-1-yl)-[5-chloro-2-(difluoromethoxy)phenyl]methanone
CID 119378235
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(3-aminopiperidin-1-yl)-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone;hydrochloride
CID 176731114
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride (CID 119377764) is (3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2ccc(Cl)cc2F)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride?
The InChIKey is FGMAHWMXRHQBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O.ClH/c13-8-3-4-10(11(14)6-8)12(17)16-5-1-2-9(15)7-16;/h3-4,6,9H,1-2,5,7,15H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride has a molecular weight of 293.17 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119377764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).