4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine

C12H21N3O — CID 114663296

IUPAC4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine
SMILESCCC1CCNC(c2c(OC)cnn2C)C1
InChIInChI=1S/C12H21N3O/c1-4-9-5-6-13-10(7-9)12-11(16-3)8-14-15(12)2/h8-10,13H,4-7H2,1-3H3
InChIKeyRFOWBEKQJXGSKC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.88
Rot. Bonds3

About 4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine

4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine (PubChem CID 114663296) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine
PubChem CID114663296
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine
SMILESCCC1CCNC(c2c(OC)cnn2C)C1
InChIInChI=1S/C12H21N3O/c1-4-9-5-6-13-10(7-9)12-11(16-3)8-14-15(12)2/h8-10,13H,4-7H2,1-3H3
InChIKeyRFOWBEKQJXGSKC-UHFFFAOYSA-N
XLogP1.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-1-methylpyrazol-5-yl)piperidine
CID 114663133
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine
CID 114663304
2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine
CID 106781309
2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole
CID 114764905
(3-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644051
5-(4-ethylpiperidin-2-yl)-2-methyl-1,2,4-triazol-3-amine
CID 114431944
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
(4-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114655202
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone
CID 114669849
4-ethyl-2-(2-propoxyphenyl)piperidine
CID 104662519
methyl 4-[(2R,4R)-4-ethylpiperidin-2-yl]benzoate
CID 125468766
3-(4-methoxy-1-methylpyrazol-5-yl)cycloheptan-1-one
CID 114663622

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine?
The IUPAC name of 4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine (CID 114663296) is 4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine.
What is the SMILES notation for 4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine?
The canonical SMILES for 4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine is CCC1CCNC(c2c(OC)cnn2C)C1.
What is the InChIKey of 4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine?
The InChIKey is RFOWBEKQJXGSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-9-5-6-13-10(7-9)12-11(16-3)8-14-15(12)2/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine?
4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine has a molecular weight of 223.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine is sourced from PubChem (CID 114663296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).