1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine

C15H23N3 — CID 86768634

IUPAC1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCc1cc(C2CCCN(C3C=CCCC3)C2)n[nH]1
InChIInChI=1S/C15H23N3/c1-12-10-15(17-16-12)13-6-5-9-18(11-13)14-7-3-2-4-8-14/h3,7,10,13-14H,2,4-6,8-9,11H2,1H3,(H,16,17)
InChIKeyQBFCYPBGAONXBJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.01
Rot. Bonds2

About 1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine

1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine (PubChem CID 86768634) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine
PubChem CID86768634
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCc1cc(C2CCCN(C3C=CCCC3)C2)n[nH]1
InChIInChI=1S/C15H23N3/c1-12-10-15(17-16-12)13-6-5-9-18(11-13)14-7-3-2-4-8-14/h3,7,10,13-14H,2,4-6,8-9,11H2,1H3,(H,16,17)
InChIKeyQBFCYPBGAONXBJ-UHFFFAOYSA-N
XLogP3.01
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 100838153
2-cyclopent-2-en-1-yl-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926754
5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
CID 116856668
3-cyclohexyl-5-methyl-1H-pyrazole;ethane
CID 144662747
(3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 97004575
2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 71926991
(3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine
CID 104975560
(5R)-5-[(3R)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione
CID 95780849
[3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol
CID 95842997
1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 71927062
(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926857
(2S)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-4-[(1S)-cyclohex-2-en-1-yl]morpholine
CID 100837697

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine (CID 86768634) is 1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine is Cc1cc(C2CCCN(C3C=CCCC3)C2)n[nH]1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The InChIKey is QBFCYPBGAONXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12-10-15(17-16-12)13-6-5-9-18(11-13)14-7-3-2-4-8-14/h3,7,10,13-14H,2,4-6,8-9,11H2,1H3,(H,16,17).
What are the key properties of 1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine has a molecular weight of 245.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-3-(5-methyl-1H-pyrazol-3-yl)piperidine is sourced from PubChem (CID 86768634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).