N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine

C14H25N3O — CID 63849789

IUPACN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cc(C)on2)CC1
InChIInChI=1S/C14H25N3O/c1-3-6-15-10-13-4-7-17(8-5-13)11-14-9-12(2)18-16-14/h9,13,15H,3-8,10-11H2,1-2H3
InChIKeyYZQVIVCRQIJJTL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.19
Rot. Bonds6

About N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine

N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine (PubChem CID 63849789) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
PubChem CID63849789
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cc(C)on2)CC1
InChIInChI=1S/C14H25N3O/c1-3-6-15-10-13-4-7-17(8-5-13)11-14-9-12(2)18-16-14/h9,13,15H,3-8,10-11H2,1-2H3
InChIKeyYZQVIVCRQIJJTL-UHFFFAOYSA-N
XLogP2.19
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine (CID 63849789) is N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(Cc2cc(C)on2)CC1.
What is the InChIKey of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is YZQVIVCRQIJJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-6-15-10-13-4-7-17(8-5-13)11-14-9-12(2)18-16-14/h9,13,15H,3-8,10-11H2,1-2H3.
What are the key properties of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine?
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 63849789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).