(2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine

C13H23N3 — CID 143916063

IUPAC(2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine
SMILESCCc1cnn(CC[C@H]2CCCCN2C)c1
InChIInChI=1S/C13H23N3/c1-3-12-10-14-16(11-12)9-7-13-6-4-5-8-15(13)2/h10-11,13H,3-9H2,1-2H3/t13-/m1/s1
InChIKeyICZGBEZRIWQMMA-CYBMUJFWSA-N
MW221.35 g/mol
LogP2.32
Rot. Bonds4

About (2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine

(2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine (PubChem CID 143916063) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine.

Molecular Properties

Compound Name(2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine
PubChem CID143916063
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine
SMILESCCc1cnn(CC[C@H]2CCCCN2C)c1
InChIInChI=1S/C13H23N3/c1-3-12-10-14-16(11-12)9-7-13-6-4-5-8-15(13)2/h10-11,13H,3-9H2,1-2H3/t13-/m1/s1
InChIKeyICZGBEZRIWQMMA-CYBMUJFWSA-N
XLogP2.32
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 107912883
1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole
CID 84768017
1-[2-(1-methylpiperidin-2-yl)ethyl]-4-(1-propylpyrazol-4-yl)-3,6-dihydro-2H-pyridine
CID 56710490
4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazol-3-amine
CID 107912156
1-[(1-methylpiperidin-2-yl)methyl]pyrazol-4-ol
CID 117124769
1-[(1-methylpiperidin-2-yl)methyl]pyrazol-4-amine
CID 170985114
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
CID 107914179
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
CID 116642161
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62414895
[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine
CID 107913121
1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 103607029
1-methyl-2-[2-(5-methylpyrazol-1-yl)ethyl]piperidine
CID 107914184

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine?
The IUPAC name of (2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine (CID 143916063) is (2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine.
What is the SMILES notation for (2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine?
The canonical SMILES for (2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine is CCc1cnn(CC[C@H]2CCCCN2C)c1.
What is the InChIKey of (2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine?
The InChIKey is ICZGBEZRIWQMMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-12-10-14-16(11-12)9-7-13-6-4-5-8-15(13)2/h10-11,13H,3-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine?
(2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine has a molecular weight of 221.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine is sourced from PubChem (CID 143916063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).