5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine

C15H21N5O — CID 106966826

IUPAC5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(NC2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C15H21N5O/c16-10-14-18-19-15(21-14)17-13-6-8-20(9-7-13)11-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,19)
InChIKeyIAZXHEFWLJZLFX-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.60
Rot. Bonds5

About 5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106966826) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106966826
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(NC2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C15H21N5O/c16-10-14-18-19-15(21-14)17-13-6-8-20(9-7-13)11-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,19)
InChIKeyIAZXHEFWLJZLFX-UHFFFAOYSA-N
XLogP1.60
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoethyl)-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine
CID 137340433
5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine
CID 136576210
5-benzyl-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-amine;hydrochloride
CID 136576209
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 154868110
5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine
CID 15919005
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 43540095
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133366013

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine (CID 106966826) is 5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine is NCc1nnc(NC2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of 5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is IAZXHEFWLJZLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c16-10-14-18-19-15(21-14)17-13-6-8-20(9-7-13)11-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,19).
What are the key properties of 5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 287.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).