N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine

C34H40F6N2 — CID 142115975

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine (PubChem CID 142115975) has the molecular formula C34H40F6N2 and a molecular weight of 590.70 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine
• PubChem CID: 142115975
• Molecular Formula: C34H40F6N2
• Molecular Weight: 590.70 g/mol
• Exact Mass: 590.31
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine
• SMILES: C=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(CC2CC2)CCC(N2CCC(/C=C\c3ccccc3)C(C)C2)C1
• InChI: InChI=1S/C34H40F6N2/c1-23-22-42(15-13-28(23)11-10-25-6-4-3-5-7-25)31-12-14-32(20-31,19-26-8-9-26)24(2)41-21-27-16-29(33(35,36)37)18-30(17-27)34(38,39)40/h3-7,10-11,16-18,23,26,28,31,41H,2,8-9,12-15,19-22H2,1H3/b11-10-
• InChIKey: KECSPXBQQKNDMB-KHPPLWFESA-N
• XLogP: 9.34
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.70
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine (CID 142115975) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine is C=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(CC2CC2)CCC(N2CCC(/C=C\c3ccccc3)C(C)C2)C1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine?

The InChIKey is KECSPXBQQKNDMB-KHPPLWFESA-N. The full InChI is InChI=1S/C34H40F6N2/c1-23-22-42(15-13-28(23)11-10-25-6-4-3-5-7-25)31-12-14-32(20-31,19-26-8-9-26)24(2)41-21-27-16-29(33(35,36)37)18-30(17-27)34(38,39)40/h3-7,10-11,16-18,23,26,28,31,41H,2,8-9,12-15,19-22H2,1H3/b11-10-.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine has a molecular weight of 590.70 g/mol, XLogP of 9.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine is sourced from PubChem (CID 142115975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).