[4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine

C14H18N4O — CID 82483584

IUPAC[4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnc(N3CCCCC3)o2)cc1
InChIInChI=1S/C14H18N4O/c15-10-11-4-6-12(7-5-11)13-16-17-14(19-13)18-8-2-1-3-9-18/h4-7H,1-3,8-10,15H2
InChIKeyDUURIDIILVBAAN-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.19
Rot. Bonds3

About [4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine

[4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine (PubChem CID 82483584) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is [4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
PubChem CID82483584
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC Name[4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnc(N3CCCCC3)o2)cc1
InChIInChI=1S/C14H18N4O/c15-10-11-4-6-12(7-5-11)13-16-17-14(19-13)18-8-2-1-3-9-18/h4-7H,1-3,8-10,15H2
InChIKeyDUURIDIILVBAAN-UHFFFAOYSA-N
XLogP2.19
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine (CID 82483584) is [4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine is NCc1ccc(-c2nnc(N3CCCCC3)o2)cc1.
What is the InChIKey of [4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The InChIKey is DUURIDIILVBAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-11-4-6-12(7-5-11)13-16-17-14(19-13)18-8-2-1-3-9-18/h4-7H,1-3,8-10,15H2.
What are the key properties of [4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine?
[4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine has a molecular weight of 258.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 82483584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).