3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine

C16H24N2 — CID 163963293

IUPAC3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine
SMILESC1=CN=C(C2CCNCC2)C(C2=CCCCC2)C1
InChIInChI=1S/C16H24N2/c1-2-5-13(6-3-1)15-7-4-10-18-16(15)14-8-11-17-12-9-14/h4-5,10,14-15,17H,1-3,6-9,11-12H2
InChIKeySJJWYSBWNGJKBT-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.46
Rot. Bonds2

About 3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine

3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine (PubChem CID 163963293) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine
PubChem CID163963293
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine
SMILESC1=CN=C(C2CCNCC2)C(C2=CCCCC2)C1
InChIInChI=1S/C16H24N2/c1-2-5-13(6-3-1)15-7-4-10-18-16(15)14-8-11-17-12-9-14/h4-5,10,14-15,17H,1-3,6-9,11-12H2
InChIKeySJJWYSBWNGJKBT-UHFFFAOYSA-N
XLogP3.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluorocyclohexa-2,4-dien-1-yl)-N-piperidin-4-yl-7-azabicyclo[4.2.0]octa-2,6-dien-5-amine
CID 163893228
[8a-ethenyl-6-(4-fluorocyclohexa-1,3-dien-1-yl)imino-2,3,4,8-tetrahydro-1H-isoquinolin-7-ylidene]methanamine
CID 173741296
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
2-Methyl-5-piperidin-4-yl-3,4-dihydropyridine
CID 91019224
7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine
CID 123370701
7-(4-Piperidin-4-ylcyclohex-3-en-1-yl)-2,3-dihydropyrido[3,4-b]pyrazine
CID 123939603
1,2,3,4,4a,5,6,6a-Octahydrobenzo[b][1,10]phenanthroline
CID 140807047
5-methyl-2-piperidin-4-yl-3H-azepine
CID 142941013
4-[2-(3,4-dihydropyridin-3-yl)ethyl]-2,3,6,7-tetrahydro-1H-azepine
CID 143703212
(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine
CID 144499452
(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen
CID 144549901
(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen;propane
CID 144787952

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine?
The IUPAC name of 3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine (CID 163963293) is 3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine.
What is the SMILES notation for 3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine?
The canonical SMILES for 3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine is C1=CN=C(C2CCNCC2)C(C2=CCCCC2)C1.
What is the InChIKey of 3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine?
The InChIKey is SJJWYSBWNGJKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-5-13(6-3-1)15-7-4-10-18-16(15)14-8-11-17-12-9-14/h4-5,10,14-15,17H,1-3,6-9,11-12H2.
What are the key properties of 3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine?
3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine has a molecular weight of 244.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-2-piperidin-4-yl-3,4-dihydropyridine is sourced from PubChem (CID 163963293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).