1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine

C25H33F2N3 — CID 45185942

About 1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine

1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 45185942) has the molecular formula C25H33F2N3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

• Compound Name: 1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
• PubChem CID: 45185942
• Molecular Formula: C25H33F2N3
• Molecular Weight: 413.56 g/mol
• Exact Mass: 413.26
• IUPAC Name: 1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
• SMILES: Fc1cccc(CN(Cc2cccnc2)CC2CCCN(C3CCCCC3)C2)c1F
• InChI: InChI=1S/C25H33F2N3/c26-24-12-4-9-22(25(24)27)19-29(16-20-7-5-13-28-15-20)17-21-8-6-14-30(18-21)23-10-2-1-3-11-23/h4-5,7,9,12-13,15,21,23H,1-3,6,8,10-11,14,16-19H2
• InChIKey: QFZDDLVRXWQXBR-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 19.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.56
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?

The IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine (CID 45185942) is 1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine.

What is the SMILES notation for 1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?

The canonical SMILES for 1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine is Fc1cccc(CN(Cc2cccnc2)CC2CCCN(C3CCCCC3)C2)c1F.

What is the InChIKey of 1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?

The InChIKey is QFZDDLVRXWQXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N3/c26-24-12-4-9-22(25(24)27)19-29(16-20-7-5-13-28-15-20)17-21-8-6-14-30(18-21)23-10-2-1-3-11-23/h4-5,7,9,12-13,15,21,23H,1-3,6,8,10-11,14,16-19H2.

What are the key properties of 1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?

1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 413.56 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 45185942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).