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

C18H26ClFN2O — CID 169488532

IUPAC(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(F)c(C2CCNCC2)c1.Cl
InChIInChI=1S/C18H25FN2O.ClH/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;1H
InChIKeyKAUZHUBIBJBHSS-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.73
Rot. Bonds2

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

(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 169488532) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
PubChem CID169488532
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(F)c(C2CCNCC2)c1.Cl
InChIInChI=1S/C18H25FN2O.ClH/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;1H
InChIKeyKAUZHUBIBJBHSS-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.73
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
CID 169488533
(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
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103841523
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 43397948
N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119471204
(7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 166390335

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride (CID 169488532) is (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride is CC1CCCCN1C(=O)c1ccc(F)c(C2CCNCC2)c1.Cl.
What is the InChIKey of (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is KAUZHUBIBJBHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/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;1H.
What are the key properties of (4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride?
(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.73, 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;hydrochloride is sourced from PubChem (CID 169488532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).