N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride

C18H25ClFN3O — CID 119928002

IUPACN-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1.Cl
InChIInChI=1S/C18H24FN3O.ClH/c1-2-20-11-14-7-9-22(10-8-14)12-17-13-23-18(21-17)15-3-5-16(19)6-4-15;/h3-6,13-14,20H,2,7-12H2,1H3;1H
InChIKeySJQNDPQGXVJLKU-UHFFFAOYSA-N
MW353.87 g/mol
LogP3.72
Rot. Bonds6

About N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride

N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (PubChem CID 119928002) has the molecular formula C18H25ClFN3O and a molecular weight of 353.87 g/mol. Its IUPAC name is N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
PubChem CID119928002
Molecular FormulaC18H25ClFN3O
Molecular Weight353.87 g/mol
Exact Mass353.17
IUPAC NameN-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1.Cl
InChIInChI=1S/C18H24FN3O.ClH/c1-2-20-11-14-7-9-22(10-8-14)12-17-13-23-18(21-17)15-3-5-16(19)6-4-15;/h3-6,13-14,20H,2,7-12H2,1H3;1H
InChIKeySJQNDPQGXVJLKU-UHFFFAOYSA-N
XLogP3.72
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride with MolForge

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Related Compounds

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol
CID 114681165
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 62547236
N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide
CID 86923626
N-[[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842641
[1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanol
CID 60768867
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81496163
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388
N-benzyl-1-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-N-methylmethanamine
CID 56509250
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 115873830
[1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol
CID 109499658
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 79266938

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (CID 119928002) is N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is CCNCC1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1.Cl.
What is the InChIKey of N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The InChIKey is SJQNDPQGXVJLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O.ClH/c1-2-20-11-14-7-9-22(10-8-14)12-17-13-23-18(21-17)15-3-5-16(19)6-4-15;/h3-6,13-14,20H,2,7-12H2,1H3;1H.
What are the key properties of N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride has a molecular weight of 353.87 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 119928002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).