(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride

C12H15ClF2N2O — CID 119378374

IUPAC(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C12H14F2N2O.ClH/c13-8-3-4-11(14)10(6-8)12(17)16-5-1-2-9(15)7-16;/h3-4,6,9H,1-2,5,7,15H2;1H
InChIKeySKSDWXAATWMWDA-UHFFFAOYSA-N
MW276.71 g/mol
LogP1.95
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride (PubChem CID 119378374) has the molecular formula C12H15ClF2N2O and a molecular weight of 276.71 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
PubChem CID119378374
Molecular FormulaC12H15ClF2N2O
Molecular Weight276.71 g/mol
Exact Mass276.08
IUPAC Name(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C12H14F2N2O.ClH/c13-8-3-4-11(14)10(6-8)12(17)16-5-1-2-9(15)7-16;/h3-4,6,9H,1-2,5,7,15H2;1H
InChIKeySKSDWXAATWMWDA-UHFFFAOYSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.71
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119484302
(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119377764
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
[3-(bromomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone
CID 80667046
(3-aminopiperidin-1-yl)-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119380155
N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119379589
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009
(3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
CID 119379144
1-[(3R)-3-aminopiperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 176515261
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119464932
[3-(aminomethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone;hydrochloride
CID 119465078

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride (CID 119378374) is (3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride?
The InChIKey is SKSDWXAATWMWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O.ClH/c13-8-3-4-11(14)10(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)-(2,5-difluorophenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride has a molecular weight of 276.71 g/mol, XLogP of 1.95, 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)-(2,5-difluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119378374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).