1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine

C14H26N4O — CID 107110055

IUPAC1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine
SMILESCCCCOCCN1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C14H26N4O/c1-2-3-11-19-12-10-17-7-4-13(5-8-17)18-9-6-14(15)16-18/h6,9,13H,2-5,7-8,10-12H2,1H3,(H2,15,16)
InChIKeyWJFPYWYXLWCIDF-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.92
Rot. Bonds7

About 1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine

1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine (PubChem CID 107110055) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine
PubChem CID107110055
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine
SMILESCCCCOCCN1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C14H26N4O/c1-2-3-11-19-12-10-17-7-4-13(5-8-17)18-9-6-14(15)16-18/h6,9,13H,2-5,7-8,10-12H2,1H3,(H2,15,16)
InChIKeyWJFPYWYXLWCIDF-UHFFFAOYSA-N
XLogP1.92
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-nonylpiperidin-4-yl)pyrazol-3-amine
CID 107109618
1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
CID 107109683
1-[1-(4-methylpentyl)piperidin-4-yl]pyrazol-3-amine
CID 107109773
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol
CID 107109591
1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109951
1-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]pyrazol-3-amine
CID 107109665
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
1-(2-butoxyethyl)piperidin-4-ol
CID 61067988
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 107109646
1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 107109700
1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109728

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine (CID 107110055) is 1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine is CCCCOCCN1CCC(n2ccc(N)n2)CC1.
What is the InChIKey of 1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine?
The InChIKey is WJFPYWYXLWCIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-2-3-11-19-12-10-17-7-4-13(5-8-17)18-9-6-14(15)16-18/h6,9,13H,2-5,7-8,10-12H2,1H3,(H2,15,16).
What are the key properties of 1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine?
1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine has a molecular weight of 266.39 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107110055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).