N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine

C33H46FN3 — CID 130216793

About N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine

N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine (PubChem CID 130216793) has the molecular formula C33H46FN3 and a molecular weight of 503.75 g/mol. Its IUPAC name is N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine.

Molecular Properties

• Compound Name: N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine
• PubChem CID: 130216793
• Molecular Formula: C33H46FN3
• Molecular Weight: 503.75 g/mol
• Exact Mass: 503.37
• IUPAC Name: N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine
• SMILES: C=C(c1cc(C(C)NC2=C(C)CCN(C)C2)c(C)cc1C)N1CCC(c2ccc(C(C)(C)F)cc2)CC1
• InChI: InChI=1S/C33H46FN3/c1-22-13-16-36(8)21-32(22)35-25(4)30-20-31(24(3)19-23(30)2)26(5)37-17-14-28(15-18-37)27-9-11-29(12-10-27)33(6,7)34/h9-12,19-20,25,28,35H,5,13-18,21H2,1-4,6-8H3
• InChIKey: XGBGPUYTVVZANP-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 18.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.75
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine?

The IUPAC name of N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine (CID 130216793) is N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine.

What is the SMILES notation for N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine?

The canonical SMILES for N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine is C=C(c1cc(C(C)NC2=C(C)CCN(C)C2)c(C)cc1C)N1CCC(c2ccc(C(C)(C)F)cc2)CC1.

What is the InChIKey of N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine?

The InChIKey is XGBGPUYTVVZANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46FN3/c1-22-13-16-36(8)21-32(22)35-25(4)30-20-31(24(3)19-23(30)2)26(5)37-17-14-28(15-18-37)27-9-11-29(12-10-27)33(6,7)34/h9-12,19-20,25,28,35H,5,13-18,21H2,1-4,6-8H3.

What are the key properties of N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine?

N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine has a molecular weight of 503.75 g/mol, XLogP of 7.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]ethyl]-1,4-dimethyl-3,6-dihydro-2H-pyridin-5-amine is sourced from PubChem (CID 130216793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).