1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine

C14H26N4O — CID 120781727

IUPAC1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCOc1c(CN2CCC(N)C(C)(C)C2)c(C)nn1C
InChIInChI=1S/C14H26N4O/c1-10-11(13(19-5)17(4)16-10)8-18-7-6-12(15)14(2,3)9-18/h12H,6-9,15H2,1-5H3
InChIKeyHEKKGFIMTOAODV-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.30
Rot. Bonds3

About 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120781727) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120781727
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCOc1c(CN2CCC(N)C(C)(C)C2)c(C)nn1C
InChIInChI=1S/C14H26N4O/c1-10-11(13(19-5)17(4)16-10)8-18-7-6-12(15)14(2,3)9-18/h12H,6-9,15H2,1-5H3
InChIKeyHEKKGFIMTOAODV-UHFFFAOYSA-N
XLogP1.30
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120781727) is 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine is COc1c(CN2CCC(N)C(C)(C)C2)c(C)nn1C.
What is the InChIKey of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is HEKKGFIMTOAODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10-11(13(19-5)17(4)16-10)8-18-7-6-12(15)14(2,3)9-18/h12H,6-9,15H2,1-5H3.
What are the key properties of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 266.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120781727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).