(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride

C18H26Cl2FN3O — CID 119826971

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H24FN3O.2ClH/c19-14-3-1-2-4-15(14)21-7-9-22(10-8-21)18(23)16-12-5-6-13(11-12)17(16)20;;/h1-4,12-13,16-17H,5-11,20H2;2*1H
InChIKeyNRTIJKOCSNUFAO-UHFFFAOYSA-N
MW390.33 g/mol
LogP2.69
Rot. Bonds2

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119826971) has the molecular formula C18H26Cl2FN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119826971
Molecular FormulaC18H26Cl2FN3O
Molecular Weight390.33 g/mol
Exact Mass389.14
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H24FN3O.2ClH/c19-14-3-1-2-4-15(14)21-7-9-22(10-8-21)18(23)16-12-5-6-13(11-12)17(16)20;;/h1-4,12-13,16-17H,5-11,20H2;2*1H
InChIKeyNRTIJKOCSNUFAO-UHFFFAOYSA-N
XLogP2.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

(1S,2S,3S,4R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51398785
2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 51191557
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119860775
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888900
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119827954
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119879831
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
(1R,2S,3S,4R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98301617
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119785221
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119710568

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride (CID 119826971) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1C2CCC(C2)C1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is NRTIJKOCSNUFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O.2ClH/c19-14-3-1-2-4-15(14)21-7-9-22(10-8-21)18(23)16-12-5-6-13(11-12)17(16)20;;/h1-4,12-13,16-17H,5-11,20H2;2*1H.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 390.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119826971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).