(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride

C17H24ClFN2O — CID 171361960

IUPAC(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1cc(C2CCNCC2)ccc1F)N1CCCCC1
InChIInChI=1S/C17H23FN2O.ClH/c18-16-5-4-14(13-6-8-19-9-7-13)12-15(16)17(21)20-10-2-1-3-11-20;/h4-5,12-13,19H,1-3,6-11H2;1H
InChIKeyANJBPKSBGDPVAI-UHFFFAOYSA-N
MW326.84 g/mol
LogP3.34
Rot. Bonds2

About (2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride

(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride (PubChem CID 171361960) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is (2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride
PubChem CID171361960
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC Name(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1cc(C2CCNCC2)ccc1F)N1CCCCC1
InChIInChI=1S/C17H23FN2O.ClH/c18-16-5-4-14(13-6-8-19-9-7-13)12-15(16)17(21)20-10-2-1-3-11-20;/h4-5,12-13,19H,1-3,6-11H2;1H
InChIKeyANJBPKSBGDPVAI-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-5-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171361963
(2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 171361971
[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166001197
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone
CID 172648907
[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119316403
1,4-diazepan-1-yl-[2-fluoro-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119418441
(3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171361907
[6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone
CID 142857708
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride?
The IUPAC name of (2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride (CID 171361960) is (2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride?
The canonical SMILES for (2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride is Cl.O=C(c1cc(C2CCNCC2)ccc1F)N1CCCCC1.
What is the InChIKey of (2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride?
The InChIKey is ANJBPKSBGDPVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O.ClH/c18-16-5-4-14(13-6-8-19-9-7-13)12-15(16)17(21)20-10-2-1-3-11-20;/h4-5,12-13,19H,1-3,6-11H2;1H.
What are the key properties of (2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride?
(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride has a molecular weight of 326.84 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 171361960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).