2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine

C13H21N3 — CID 116685928

IUPAC2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine
SMILESCc1nn(C)cc1/C=C/C1CCCC(C)N1
InChIInChI=1S/C13H21N3/c1-10-5-4-6-13(14-10)8-7-12-9-16(3)15-11(12)2/h7-10,13-14H,4-6H2,1-3H3/b8-7+
InChIKeyUIYJHDWKXTUMSN-BQYQJAHWSA-N
MW219.33 g/mol
LogP2.27
Rot. Bonds2

About 2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine

2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine (PubChem CID 116685928) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine
PubChem CID116685928
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine
SMILESCc1nn(C)cc1/C=C/C1CCCC(C)N1
InChIInChI=1S/C13H21N3/c1-10-5-4-6-13(14-10)8-7-12-9-16(3)15-11(12)2/h7-10,13-14H,4-6H2,1-3H3/b8-7+
InChIKeyUIYJHDWKXTUMSN-BQYQJAHWSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine
CID 101274474
N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine
CID 83094458
2-[(E)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethenyl]-6-methylpiperidine
CID 116685982
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine
CID 116685923
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416867
4-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]aniline
CID 12845041
(E)-N-(4,6-dimethyl-2-pyridinyl)-1-(6-methylpiperidin-2-yl)methanimine
CID 59096076
(E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine
CID 103092667
1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane
CID 102807154
1,3-dimethyl-4-propa-1,2-dienylpyrazole
CID 142348541
2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115768183
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83009856

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine?
The IUPAC name of 2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine (CID 116685928) is 2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine.
What is the SMILES notation for 2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine?
The canonical SMILES for 2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine is Cc1nn(C)cc1/C=C/C1CCCC(C)N1.
What is the InChIKey of 2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine?
The InChIKey is UIYJHDWKXTUMSN-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-5-4-6-13(14-10)8-7-12-9-16(3)15-11(12)2/h7-10,13-14H,4-6H2,1-3H3/b8-7+.
What are the key properties of 2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine?
2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine has a molecular weight of 219.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine is sourced from PubChem (CID 116685928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).