6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine

C19H30N2 — CID 89105849

IUPAC6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine
SMILESC=CC1=CC(C2CC=C(CN3CCCCC3)CC2)CCN1
InChIInChI=1S/C19H30N2/c1-2-19-14-18(10-11-20-19)17-8-6-16(7-9-17)15-21-12-4-3-5-13-21/h2,6,14,17-18,20H,1,3-5,7-13,15H2
InChIKeyNEIOSTMNNRUAAR-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.88
Rot. Bonds4

About 6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine

6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine (PubChem CID 89105849) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine
PubChem CID89105849
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine
SMILESC=CC1=CC(C2CC=C(CN3CCCCC3)CC2)CCN1
InChIInChI=1S/C19H30N2/c1-2-19-14-18(10-11-20-19)17-8-6-16(7-9-17)15-21-12-4-3-5-13-21/h2,6,14,17-18,20H,1,3-5,7-13,15H2
InChIKeyNEIOSTMNNRUAAR-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine (CID 89105849) is 6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine is C=CC1=CC(C2CC=C(CN3CCCCC3)CC2)CCN1.
What is the InChIKey of 6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine?
The InChIKey is NEIOSTMNNRUAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-19-14-18(10-11-20-19)17-8-6-16(7-9-17)15-21-12-4-3-5-13-21/h2,6,14,17-18,20H,1,3-5,7-13,15H2.
What are the key properties of 6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine?
6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine has a molecular weight of 286.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-[4-(piperidin-1-ylmethyl)cyclohex-3-en-1-yl]-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 89105849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).