1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine

C12H21N3O — CID 99785968

IUPAC1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine
SMILESCCn1cc(OCCN2CCCCC2)cn1
InChIInChI=1S/C12H21N3O/c1-2-15-11-12(10-13-15)16-9-8-14-6-4-3-5-7-14/h10-11H,2-9H2,1H3
InChIKeyUTSJBIXGWRQFBK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.77
Rot. Bonds5

About 1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine

1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine (PubChem CID 99785968) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine
PubChem CID99785968
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine
SMILESCCn1cc(OCCN2CCCCC2)cn1
InChIInChI=1S/C12H21N3O/c1-2-15-11-12(10-13-15)16-9-8-14-6-4-3-5-7-14/h10-11H,2-9H2,1H3
InChIKeyUTSJBIXGWRQFBK-UHFFFAOYSA-N
XLogP1.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine?
The IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine (CID 99785968) is 1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine.
What is the SMILES notation for 1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine?
The canonical SMILES for 1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine is CCn1cc(OCCN2CCCCC2)cn1.
What is the InChIKey of 1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine?
The InChIKey is UTSJBIXGWRQFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-11-12(10-13-15)16-9-8-14-6-4-3-5-7-14/h10-11H,2-9H2,1H3.
What are the key properties of 1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine?
1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine has a molecular weight of 223.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazol-4-yl)oxyethyl]piperidine is sourced from PubChem (CID 99785968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).