[2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride

C20H26Cl2FN5O — CID 120735828

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccnc(N2CCCCC2)n1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C20H24FN5O.2ClH/c21-16-6-4-5-15(13-16)18-14-22-9-12-26(18)19(27)17-7-8-23-20(24-17)25-10-2-1-3-11-25;;/h4-8,13,18,22H,1-3,9-12,14H2;2*1H
InChIKeyUGIDCWAKJUGRSM-UHFFFAOYSA-N
MW442.37 g/mol
LogP3.24
Rot. Bonds3

About [2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride

[2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride (PubChem CID 120735828) has the molecular formula C20H26Cl2FN5O and a molecular weight of 442.37 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride
PubChem CID120735828
Molecular FormulaC20H26Cl2FN5O
Molecular Weight442.37 g/mol
Exact Mass441.15
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccnc(N2CCCCC2)n1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C20H24FN5O.2ClH/c21-16-6-4-5-15(13-16)18-14-22-9-12-26(18)19(27)17-7-8-23-20(24-17)25-10-2-1-3-11-25;;/h4-8,13,18,22H,1-3,9-12,14H2;2*1H
InChIKeyUGIDCWAKJUGRSM-UHFFFAOYSA-N
XLogP3.24
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504
(3-aminopyrazin-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120737871
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 120735841
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735632
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
CID 120803031
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
[2-(3-fluorophenyl)piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120737603
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737538
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120737862

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride (CID 120735828) is [2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride is Cl.Cl.O=C(c1ccnc(N2CCCCC2)n1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride?
The InChIKey is UGIDCWAKJUGRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O.2ClH/c21-16-6-4-5-15(13-16)18-14-22-9-12-26(18)19(27)17-7-8-23-20(24-17)25-10-2-1-3-11-25;;/h4-8,13,18,22H,1-3,9-12,14H2;2*1H.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride?
[2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride has a molecular weight of 442.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120735828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).