2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine

C12H21N3O — CID 62342583

IUPAC2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine
SMILESc1cnn(CCOCCC2CCCCN2)c1
InChIInChI=1S/C12H21N3O/c1-2-6-13-12(4-1)5-10-16-11-9-15-8-3-7-14-15/h3,7-8,12-13H,1-2,4-6,9-11H2
InChIKeyMNPIKHAMVYTAQB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine

2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine (PubChem CID 62342583) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine
PubChem CID62342583
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine
SMILESc1cnn(CCOCCC2CCCCN2)c1
InChIInChI=1S/C12H21N3O/c1-2-6-13-12(4-1)5-10-16-11-9-15-8-3-7-14-15/h3,7-8,12-13H,1-2,4-6,9-11H2
InChIKeyMNPIKHAMVYTAQB-UHFFFAOYSA-N
XLogP1.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.43
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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Related Compounds

2-[2-[2-(2-methylimidazol-1-yl)ethoxy]ethyl]piperidine
CID 62342019
2-[2-(3-pyrrolidin-1-ylpropoxy)ethyl]piperidine
CID 62341420
1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
2-(2-octadecoxyethyl)piperidine
CID 140997929
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
2-[2-(triazol-1-yl)ethyl]azepane
CID 141161255
2-[2-(4-phenylbutoxy)ethyl]piperidine
CID 114334035
2-[2-(3,3-diethoxypropoxy)ethyl]piperidine
CID 113320298
2-methyl-4-(2-piperidin-2-ylethoxy)butan-2-ol
CID 106937966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine (CID 62342583) is 2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine is c1cnn(CCOCCC2CCCCN2)c1.
What is the InChIKey of 2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine?
The InChIKey is MNPIKHAMVYTAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-6-13-12(4-1)5-10-16-11-9-15-8-3-7-14-15/h3,7-8,12-13H,1-2,4-6,9-11H2.
What are the key properties of 2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine?
2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine has a molecular weight of 223.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine is sourced from PubChem (CID 62342583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).