N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine

C21H24FN3O — CID 171329070

IUPACN-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1noc2ccccc12)C1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H24FN3O/c1-24(15-20-19-7-2-3-8-21(19)26-23-20)18-9-11-25(12-10-18)14-16-5-4-6-17(22)13-16/h2-8,13,18H,9-12,14-15H2,1H3
InChIKeySMEYIYQIVFGDQK-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.06
Rot. Bonds5

About N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine

N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine (PubChem CID 171329070) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine
PubChem CID171329070
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1noc2ccccc12)C1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H24FN3O/c1-24(15-20-19-7-2-3-8-21(19)26-23-20)18-9-11-25(12-10-18)14-16-5-4-6-17(22)13-16/h2-8,13,18H,9-12,14-15H2,1H3
InChIKeySMEYIYQIVFGDQK-UHFFFAOYSA-N
XLogP4.06
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 171328941
N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 171328942
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
N-[(3-fluorophenyl)methyl]-N-methyl-1-[(2-methyl-1,2λ4-dithia-3-azacyclopenta-2,4-dien-5-yl)methyl]piperidin-4-amine
CID 137497020
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335916
[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 171329094
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane
CID 91553600
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
3-[2-(4-benzylpiperazin-1-yl)ethyl]-1,2-benzoxazole
CID 18377472
[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 171338016
3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171326546

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine (CID 171329070) is N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine is CN(Cc1noc2ccccc12)C1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is SMEYIYQIVFGDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-24(15-20-19-7-2-3-8-21(19)26-23-20)18-9-11-25(12-10-18)14-16-5-4-6-17(22)13-16/h2-8,13,18H,9-12,14-15H2,1H3.
What are the key properties of N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 353.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 171329070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).