(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone

C18H18F2N2O — CID 119373691

IUPAC(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
SMILESNC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1
InChIInChI=1S/C18H18F2N2O/c19-14-4-1-12(2-5-14)13-3-6-16(17(20)11-13)18(23)22-9-7-15(21)8-10-22/h1-6,11,15H,7-10,21H2
InChIKeyGPJWCXSBRJSYLP-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.20
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone

(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone (PubChem CID 119373691) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
PubChem CID119373691
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
SMILESNC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1
InChIInChI=1S/C18H18F2N2O/c19-14-4-1-12(2-5-14)13-3-6-16(17(20)11-13)18(23)22-9-7-15(21)8-10-22/h1-6,11,15H,7-10,21H2
InChIKeyGPJWCXSBRJSYLP-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119375419
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119415116
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone;hydrochloride
CID 119415115
[4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone
CID 146140219
(4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone
CID 56906994
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119376653
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119374876
[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488820
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(4-chlorophenyl)-2-fluorophenyl]methanone;hydrochloride
CID 119486781
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone (CID 119373691) is (4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone is NC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone?
The InChIKey is GPJWCXSBRJSYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c19-14-4-1-12(2-5-14)13-3-6-16(17(20)11-13)18(23)22-9-7-15(21)8-10-22/h1-6,11,15H,7-10,21H2.
What are the key properties of (4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone?
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone has a molecular weight of 316.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone is sourced from PubChem (CID 119373691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).