(4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride

C18H19ClF2N2O2 — CID 119374818

IUPAC(4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C18H18F2N2O2.ClH/c19-16-6-5-15(11-17(16)20)24-14-3-1-12(2-4-14)18(23)22-9-7-13(21)8-10-22;/h1-6,11,13H,7-10,21H2;1H
InChIKeyLGMJQDBYGJRJFX-UHFFFAOYSA-N
MW368.81 g/mol
LogP3.74
Rot. Bonds3

About (4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride (PubChem CID 119374818) has the molecular formula C18H19ClF2N2O2 and a molecular weight of 368.81 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride
PubChem CID119374818
Molecular FormulaC18H19ClF2N2O2
Molecular Weight368.81 g/mol
Exact Mass368.11
IUPAC Name(4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C18H18F2N2O2.ClH/c19-16-6-5-15(11-17(16)20)24-14-3-1-12(2-4-14)18(23)22-9-7-13(21)8-10-22;/h1-6,11,13H,7-10,21H2;1H
InChIKeyLGMJQDBYGJRJFX-UHFFFAOYSA-N
XLogP3.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazepan-1-yl-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride
CID 119416353
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119376292
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
CID 45341289
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119934528
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
[4-(3-chloro-4-fluorophenoxy)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 68811316
4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid
CID 119215971

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride (CID 119374818) is (4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride is Cl.NC1CCN(C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride?
The InChIKey is LGMJQDBYGJRJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2.ClH/c19-16-6-5-15(11-17(16)20)24-14-3-1-12(2-4-14)18(23)22-9-7-13(21)8-10-22;/h1-6,11,13H,7-10,21H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride has a molecular weight of 368.81 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119374818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).