4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride

C42H58Cl2F4N10O2 — CID 160634875

About 4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride

4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride (PubChem CID 160634875) has the molecular formula C42H58Cl2F4N10O2 and a molecular weight of 881.89 g/mol. Its IUPAC name is 4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride
• PubChem CID: 160634875
• Molecular Formula: C42H58Cl2F4N10O2
• Molecular Weight: 881.89 g/mol
• Exact Mass: 880.41
• IUPAC Name: 4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride
• SMILES: COC(=O)N1CCC(c2cc(Cl)nc(-n3ccc(C)n3)c2)CC1.Cc1ccn(-c2cc(C3CCNCC3)cc(NC3CCC(F)(F)CC3)n2)n1.Cl.NC1CCC(F)(F)CC1
• InChI: InChI=1S/C20H27F2N5.C16H19ClN4O2.C6H11F2N.ClH/c1-14-6-11-27(26-14)19-13-16(15-4-9-23-10-5-15)12-18(25-19)24-17-2-7-20(21,22)8-3-17;1-11-3-8-21(19-11)15-10-13(9-14(17)18-15)12-4-6-20(7-5-12)16(22)23-2;7-6(8)3-1-5(9)2-4-6;/h6,11-13,15,17,23H,2-5,7-10H2,1H3,(H,24,25);3,8-10,12H,4-7H2,1-2H3;5H,1-4,9H2;1H
• InChIKey: USLIIKMACJUHRJ-UHFFFAOYSA-N
• XLogP: 9.15
• TPSA: 141.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	881.89
LogP ≤ 5	9.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride?

The IUPAC name of 4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride (CID 160634875) is 4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride.

What is the SMILES notation for 4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride?

The canonical SMILES for 4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride is COC(=O)N1CCC(c2cc(Cl)nc(-n3ccc(C)n3)c2)CC1.Cc1ccn(-c2cc(C3CCNCC3)cc(NC3CCC(F)(F)CC3)n2)n1.Cl.NC1CCC(F)(F)CC1.

What is the InChIKey of 4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride?

The InChIKey is USLIIKMACJUHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5.C16H19ClN4O2.C6H11F2N.ClH/c1-14-6-11-27(26-14)19-13-16(15-4-9-23-10-5-15)12-18(25-19)24-17-2-7-20(21,22)8-3-17;1-11-3-8-21(19-11)15-10-13(9-14(17)18-15)12-4-6-20(7-5-12)16(22)23-2;7-6(8)3-1-5(9)2-4-6;/h6,11-13,15,17,23H,2-5,7-10H2,1H3,(H,24,25);3,8-10,12H,4-7H2,1-2H3;5H,1-4,9H2;1H.

What are the key properties of 4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride?

4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride has a molecular weight of 881.89 g/mol, XLogP of 9.15, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-piperidin-4-ylpyridin-2-amine;methyl 4-[2-chloro-6-(3-methylpyrazol-1-yl)-4-pyridinyl]piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 160634875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).