N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine

C13H23N3O — CID 63637151

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1cc(C)no1)C1CCCNC1
InChIInChI=1S/C13H23N3O/c1-3-7-16(12-5-4-6-14-9-12)10-13-8-11(2)15-17-13/h8,12,14H,3-7,9-10H2,1-2H3
InChIKeyYUWIWRBEWUOKOH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.95
Rot. Bonds5

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine (PubChem CID 63637151) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine
PubChem CID63637151
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1cc(C)no1)C1CCCNC1
InChIInChI=1S/C13H23N3O/c1-3-7-16(12-5-4-6-14-9-12)10-13-8-11(2)15-17-13/h8,12,14H,3-7,9-10H2,1-2H3
InChIKeyYUWIWRBEWUOKOH-UHFFFAOYSA-N
XLogP1.95
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine (CID 63637151) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1cc(C)no1)C1CCCNC1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is YUWIWRBEWUOKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-16(12-5-4-6-14-9-12)10-13-8-11(2)15-17-13/h8,12,14H,3-7,9-10H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 237.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63637151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).