[4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine

C13H25N5O — CID 112622487

IUPAC[4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2ncnn2C(C)C)C(CN)C1
InChIInChI=1S/C13H25N5O/c1-10(2)18-13(15-9-16-18)8-17-5-4-12(19-3)6-11(17)7-14/h9-12H,4-8,14H2,1-3H3
InChIKeyCBJLDYRQKLJULX-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.80
Rot. Bonds5

About [4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine

[4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 112622487) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is [4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine
PubChem CID112622487
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name[4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2ncnn2C(C)C)C(CN)C1
InChIInChI=1S/C13H25N5O/c1-10(2)18-13(15-9-16-18)8-17-5-4-12(19-3)6-11(17)7-14/h9-12H,4-8,14H2,1-3H3
InChIKeyCBJLDYRQKLJULX-UHFFFAOYSA-N
XLogP0.80
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine (CID 112622487) is [4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine is COC1CCN(Cc2ncnn2C(C)C)C(CN)C1.
What is the InChIKey of [4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is CBJLDYRQKLJULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-10(2)18-13(15-9-16-18)8-17-5-4-12(19-3)6-11(17)7-14/h9-12H,4-8,14H2,1-3H3.
What are the key properties of [4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine?
[4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 112622487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).