cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid

C116H160F4N22O14P2 — CID 158386413

About cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid

cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid (PubChem CID 158386413) has the molecular formula C116H160F4N22O14P2 and a molecular weight of 2226.64 g/mol. Its IUPAC name is cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid.

Molecular Properties

• Compound Name: cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid
• PubChem CID: 158386413
• Molecular Formula: C116H160F4N22O14P2
• Molecular Weight: 2226.64 g/mol
• Exact Mass: 2225.20
• IUPAC Name: cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid
• SMILES: C1CCNCC1.NC1CCCCC1.Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCCCC1.O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCCCC1)c1cccc(-n2cnnn2)c1.O=C(O)c1cccc(C(F)(F)F)c1.O=Cc1ccc(NC2CCCCC2)c([N+](=O)[O-])c1.O=[N+]([O-])c1cc(CN2CCCCC2)ccc1NC1CCCCC1.O=[N+]([O-])c1cc(CO)ccc1F.O=[N+]([O-])c1cc(CO)ccc1NC1CCCCC1.[3H]PP
• InChI: InChI=1S/C27H32N8O.C19H28N4.C18H27N3O2.C13H18N2O3.C13H16N2O3.C8H5F3O2.C7H6FNO3.C6H13N.C5H11N.H4P2/c36-26(21-8-7-11-23(17-21)34-19-28-31-32-34)30-27-29-24-16-20(18-33-14-5-2-6-15-33)12-13-25(24)35(27)22-9-3-1-4-10-22;20-19-21-17-13-15(14-22-11-5-2-6-12-22)9-10-18(17)23(19)16-7-3-1-4-8-16;22-21(23)18-13-15(14-20-11-5-2-6-12-20)9-10-17(18)19-16-7-3-1-4-8-16;2*16-9-10-6-7-12(13(8-10)15(17)18)14-11-4-2-1-3-5-11;9-8(10,11)6-3-1-2-5(4-6)7(12)13;8-6-2-1-5(4-10)3-7(6)9(11)12;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2/h7-8,11-13,16-17,19,22H,1-6,9-10,14-15,18H2,(H,29,30,36);9-10,13,16H,1-8,11-12,14H2,(H2,20,21);9-10,13,16,19H,1-8,11-12,14H2;6-8,11,14,16H,1-5,9H2;6-9,11,14H,1-5H2;1-4H,(H,12,13);1-3,10H,4H2;6H,1-5,7H2;6H,1-5H2;1-2H2/i;;;;;;;;;1T
• InChIKey: GWKSVZYSCILQSS-TUEJNFDESA-N
• XLogP: 25.49
• TPSA: 485.61 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2226.64
LogP ≤ 5	25.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid?

The IUPAC name of cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid (CID 158386413) is cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid.

What is the SMILES notation for cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid?

The canonical SMILES for cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid is C1CCNCC1.NC1CCCCC1.Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCCCC1.O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCCCC1)c1cccc(-n2cnnn2)c1.O=C(O)c1cccc(C(F)(F)F)c1.O=Cc1ccc(NC2CCCCC2)c([N+](=O)[O-])c1.O=[N+]([O-])c1cc(CN2CCCCC2)ccc1NC1CCCCC1.O=[N+]([O-])c1cc(CO)ccc1F.O=[N+]([O-])c1cc(CO)ccc1NC1CCCCC1.[3H]PP.

What is the InChIKey of cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid?

The InChIKey is GWKSVZYSCILQSS-TUEJNFDESA-N. The full InChI is InChI=1S/C27H32N8O.C19H28N4.C18H27N3O2.C13H18N2O3.C13H16N2O3.C8H5F3O2.C7H6FNO3.C6H13N.C5H11N.H4P2/c36-26(21-8-7-11-23(17-21)34-19-28-31-32-34)30-27-29-24-16-20(18-33-14-5-2-6-15-33)12-13-25(24)35(27)22-9-3-1-4-10-22;20-19-21-17-13-15(14-22-11-5-2-6-12-22)9-10-18(17)23(19)16-7-3-1-4-8-16;22-21(23)18-13-15(14-20-11-5-2-6-12-20)9-10-17(18)19-16-7-3-1-4-8-16;2*16-9-10-6-7-12(13(8-10)15(17)18)14-11-4-2-1-3-5-11;9-8(10,11)6-3-1-2-5(4-6)7(12)13;8-6-2-1-5(4-10)3-7(6)9(11)12;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2/h7-8,11-13,16-17,19,22H,1-6,9-10,14-15,18H2,(H,29,30,36);9-10,13,16H,1-8,11-12,14H2,(H2,20,21);9-10,13,16,19H,1-8,11-12,14H2;6-8,11,14,16H,1-5,9H2;6-9,11,14H,1-5H2;1-4H,(H,12,13);1-3,10H,4H2;6H,1-5,7H2;6H,1-5H2;1-2H2/i;;;;;;;;;1T.

What are the key properties of cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid?

cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid has a molecular weight of 2226.64 g/mol, XLogP of 25.49, 25 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexanamine;4-(cyclohexylamino)-3-nitrobenzaldehyde;[4-(cyclohexylamino)-3-nitrophenyl]methanol;N-cyclohexyl-2-nitro-4-(piperidin-1-ylmethyl)aniline;1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-amine;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(tetrazol-1-yl)benzamide;(4-fluoro-3-nitrophenyl)methanol;phosphanyl(tritio)phosphane;piperidine;3-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 158386413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).