(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone

C18H25FN2O — CID 169488533

IUPAC(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(F)c(C2CCNCC2)c1
InChIInChI=1S/C18H25FN2O/c1-13-4-2-3-11-21(13)18(22)15-5-6-17(19)16(12-15)14-7-9-20-10-8-14/h5-6,12-14,20H,2-4,7-11H2,1H3
InChIKeyLDCAPLOTTKCMJC-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.31
Rot. Bonds2

About (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone

(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 169488533) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID169488533
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(F)c(C2CCNCC2)c1
InChIInChI=1S/C18H25FN2O/c1-13-4-2-3-11-21(13)18(22)15-5-6-17(19)16(12-15)14-7-9-20-10-8-14/h5-6,12-14,20H,2-4,7-11H2,1H3
InChIKeyLDCAPLOTTKCMJC-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 169488532
(2-methylpiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone
CID 171361858
(3,4-difluorophenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82245250
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103841523
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 43397948
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
(7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 166390335
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone (CID 169488533) is (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(F)c(C2CCNCC2)c1.
What is the InChIKey of (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is LDCAPLOTTKCMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-13-4-2-3-11-21(13)18(22)15-5-6-17(19)16(12-15)14-7-9-20-10-8-14/h5-6,12-14,20H,2-4,7-11H2,1H3.
What are the key properties of (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone?
(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 304.41 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 169488533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).