(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride

C17H25ClFN3O — CID 119930083

IUPAC(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1cccc(F)c1)N1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C17H24FN3O.ClH/c18-16-5-1-4-15(11-16)17(22)21-9-7-20(8-10-21)13-14-3-2-6-19-12-14;/h1,4-5,11,14,19H,2-3,6-10,12-13H2;1H
InChIKeyJGONUFPASDWLIX-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.00
Rot. Bonds3

About (3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride

(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119930083) has the molecular formula C17H25ClFN3O and a molecular weight of 341.86 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119930083
Molecular FormulaC17H25ClFN3O
Molecular Weight341.86 g/mol
Exact Mass341.17
IUPAC Name(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1cccc(F)c1)N1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C17H24FN3O.ClH/c18-16-5-1-4-15(11-16)17(22)21-9-7-20(8-10-21)13-14-3-2-6-19-12-14;/h1,4-5,11,14,19H,2-3,6-10,12-13H2;1H
InChIKeyJGONUFPASDWLIX-UHFFFAOYSA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(piperidin-3-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119930211
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
(2,3-dichlorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930219
(3-methoxy-4-methylphenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone
CID 119930660
(5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 124735451
2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119930059
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930484
(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931000
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032
[4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 119932473
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930485

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride (CID 119930083) is (3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1cccc(F)c1)N1CCN(CC2CCCNC2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is JGONUFPASDWLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O.ClH/c18-16-5-1-4-15(11-16)17(22)21-9-7-20(8-10-21)13-14-3-2-6-19-12-14;/h1,4-5,11,14,19H,2-3,6-10,12-13H2;1H.
What are the key properties of (3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119930083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).