1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine

C28H37N5 — CID 45177609

About 1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine

1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 45177609) has the molecular formula C28H37N5 and a molecular weight of 443.64 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

• Compound Name: 1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
• PubChem CID: 45177609
• Molecular Formula: C28H37N5
• Molecular Weight: 443.64 g/mol
• Exact Mass: 443.30
• IUPAC Name: 1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
• SMILES: c1ccc(-c2[nH]ncc2CN(Cc2cccnc2)CC2CCCN(C3CCCCC3)C2)cc1
• InChI: InChI=1S/C28H37N5/c1-3-11-25(12-4-1)28-26(18-30-31-28)22-32(19-23-9-7-15-29-17-23)20-24-10-8-16-33(21-24)27-13-5-2-6-14-27/h1,3-4,7,9,11-12,15,17-18,24,27H,2,5-6,8,10,13-14,16,19-22H2,(H,30,31)
• InChIKey: CFNUTPLAOWDDDF-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 48.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.64
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine?

The IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine (CID 45177609) is 1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine.

What is the SMILES notation for 1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine?

The canonical SMILES for 1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine is c1ccc(-c2[nH]ncc2CN(Cc2cccnc2)CC2CCCN(C3CCCCC3)C2)cc1.

What is the InChIKey of 1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine?

The InChIKey is CFNUTPLAOWDDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5/c1-3-11-25(12-4-1)28-26(18-30-31-28)22-32(19-23-9-7-15-29-17-23)20-24-10-8-16-33(21-24)27-13-5-2-6-14-27/h1,3-4,7,9,11-12,15,17-18,24,27H,2,5-6,8,10,13-14,16,19-22H2,(H,30,31).

What are the key properties of 1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine?

1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 443.64 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 45177609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).