[(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine

C15H27N3O — CID 154807738

IUPAC[(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine
SMILESCCCc1nc(C)c(CN2CC[C@@H](C)C[C@H]2CN)o1
InChIInChI=1S/C15H27N3O/c1-4-5-15-17-12(3)14(19-15)10-18-7-6-11(2)8-13(18)9-16/h11,13H,4-10,16H2,1-3H3/t11-,13+/m1/s1
InChIKeyGRNZEKGXSYDHOT-YPMHNXCESA-N
MW265.40 g/mol
LogP2.49
Rot. Bonds5

About [(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine

[(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 154807738) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine
PubChem CID154807738
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine
SMILESCCCc1nc(C)c(CN2CC[C@@H](C)C[C@H]2CN)o1
InChIInChI=1S/C15H27N3O/c1-4-5-15-17-12(3)14(19-15)10-18-7-6-11(2)8-13(18)9-16/h11,13H,4-10,16H2,1-3H3/t11-,13+/m1/s1
InChIKeyGRNZEKGXSYDHOT-YPMHNXCESA-N
XLogP2.49
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine (CID 154807738) is [(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine is CCCc1nc(C)c(CN2CC[C@@H](C)C[C@H]2CN)o1.
What is the InChIKey of [(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is GRNZEKGXSYDHOT-YPMHNXCESA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-5-15-17-12(3)14(19-15)10-18-7-6-11(2)8-13(18)9-16/h11,13H,4-10,16H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of [(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine?
[(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 265.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 154807738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).