(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine

C17H26FN — CID 118018671

IUPAC(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine
SMILESCCC1CC(C2CC2)C(C2=CC[C@H](F)CC2)=N[C@@H]1C
InChIInChI=1S/C17H26FN/c1-3-12-10-16(13-4-5-13)17(19-11(12)2)14-6-8-15(18)9-7-14/h6,11-13,15-16H,3-5,7-10H2,1-2H3/t11-,12?,15+,16?/m1/s1
InChIKeyXNIBTAQBLWQAHY-IABDWYQCSA-N
MW263.40 g/mol
LogP4.72
Rot. Bonds3

About (2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine

(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 118018671) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is (2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine
PubChem CID118018671
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine
SMILESCCC1CC(C2CC2)C(C2=CC[C@H](F)CC2)=N[C@@H]1C
InChIInChI=1S/C17H26FN/c1-3-12-10-16(13-4-5-13)17(19-11(12)2)14-6-8-15(18)9-7-14/h6,11-13,15-16H,3-5,7-10H2,1-2H3/t11-,12?,15+,16?/m1/s1
InChIKeyXNIBTAQBLWQAHY-IABDWYQCSA-N
XLogP4.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of (2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine (CID 118018671) is (2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for (2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for (2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine is CCC1CC(C2CC2)C(C2=CC[C@H](F)CC2)=N[C@@H]1C.
What is the InChIKey of (2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is XNIBTAQBLWQAHY-IABDWYQCSA-N. The full InChI is InChI=1S/C17H26FN/c1-3-12-10-16(13-4-5-13)17(19-11(12)2)14-6-8-15(18)9-7-14/h6,11-13,15-16H,3-5,7-10H2,1-2H3/t11-,12?,15+,16?/m1/s1.
What are the key properties of (2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine?
(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 263.40 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 118018671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).