[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid

C153H190Cl8F7N31O25 — CID 159220509

IUPAC[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid
SMILESCc1cc(C(=O)N2CCC(C(N)Cc3cccc(Cl)c3)CC2)no1.Cn1cnc(C(=O)N2CCC(C(N)Cc3cccc(Cl)c3)CC2)c1.Cn1cncc1C(=O)N1CCC(C(N)Cc2cccc(Cl)c2)CC1.Cn1ncc(C(=O)N2CCC(C(N)Cc3cccc(Cl)c3)CC2)c1C(F)(F)F.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccn(C(F)F)n2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccnn2C(F)F)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccnnc2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2cncnc2)CC1.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO
InChIInChI=1S/C19H22ClF3N4O.2C18H21ClF2N4O.2C18H23ClN4O.2C18H21ClN4O.C18H22ClN3O2.8CH2O2/c1-26-17(19(21,22)23)15(11-25-26)18(28)27-7-5-13(6-8-27)16(24)10-12-3-2-4-14(20)9-12;19-14-3-1-2-12(10-14)11-15(22)13-5-8-24(9-6-13)17(26)16-4-7-23-25(16)18(20)21;19-14-3-1-2-12(10-14)11-15(22)13-4-7-24(8-5-13)17(26)16-6-9-25(23-16)18(20)21;1-22-11-17(21-12-22)18(24)23-7-5-14(6-8-23)16(20)10-13-3-2-4-15(19)9-13;1-22-12-21-11-17(22)18(24)23-7-5-14(6-8-23)16(20)10-13-3-2-4-15(19)9-13;19-16-3-1-2-13(10-16)11-17(20)14-5-8-23(9-6-14)18(24)15-4-7-21-22-12-15;19-16-3-1-2-13(8-16)9-17(20)14-4-6-23(7-5-14)18(24)15-10-21-12-22-11-15;1-12-9-17(21-24-12)18(23)22-7-5-14(6-8-22)16(20)11-13-3-2-4-15(19)10-13;8*2-1-3/h2-4,9,11,13,16H,5-8,10,24H2,1H3;1-4,7,10,13,15,18H,5-6,8-9,11,22H2;1-3,6,9-10,13,15,18H,4-5,7-8,11,22H2;2*2-4,9,11-12,14,16H,5-8,10,20H2,1H3;1-4,7,10,12,14,17H,5-6,8-9,11,20H2;1-3,8,10-12,14,17H,4-7,9,20H2;2-4,9-10,14,16H,5-8,11,20H2,1H3;8*1H,(H,2,3)
InChIKeyKRPUQGXQDLBBIL-UHFFFAOYSA-N
MW3280.00 g/mol
LogP20.98
Rot. Bonds34

About [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid

[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid (PubChem CID 159220509) has the molecular formula C153H190Cl8F7N31O25 and a molecular weight of 3280.00 g/mol. Its IUPAC name is [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid.

Molecular Properties

Compound Name[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid
PubChem CID159220509
Molecular FormulaC153H190Cl8F7N31O25
Molecular Weight3280.00 g/mol
Exact Mass3274.19
IUPAC Name[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid
SMILESCc1cc(C(=O)N2CCC(C(N)Cc3cccc(Cl)c3)CC2)no1.Cn1cnc(C(=O)N2CCC(C(N)Cc3cccc(Cl)c3)CC2)c1.Cn1cncc1C(=O)N1CCC(C(N)Cc2cccc(Cl)c2)CC1.Cn1ncc(C(=O)N2CCC(C(N)Cc3cccc(Cl)c3)CC2)c1C(F)(F)F.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccn(C(F)F)n2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccnn2C(F)F)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccnnc2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2cncnc2)CC1.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO
InChIInChI=1S/C19H22ClF3N4O.2C18H21ClF2N4O.2C18H23ClN4O.2C18H21ClN4O.C18H22ClN3O2.8CH2O2/c1-26-17(19(21,22)23)15(11-25-26)18(28)27-7-5-13(6-8-27)16(24)10-12-3-2-4-14(20)9-12;19-14-3-1-2-12(10-14)11-15(22)13-5-8-24(9-6-13)17(26)16-4-7-23-25(16)18(20)21;19-14-3-1-2-12(10-14)11-15(22)13-4-7-24(8-5-13)17(26)16-6-9-25(23-16)18(20)21;1-22-11-17(21-12-22)18(24)23-7-5-14(6-8-23)16(20)10-13-3-2-4-15(19)9-13;1-22-12-21-11-17(22)18(24)23-7-5-14(6-8-23)16(20)10-13-3-2-4-15(19)9-13;19-16-3-1-2-13(10-16)11-17(20)14-5-8-23(9-6-14)18(24)15-4-7-21-22-12-15;19-16-3-1-2-13(8-16)9-17(20)14-4-6-23(7-5-14)18(24)15-10-21-12-22-11-15;1-12-9-17(21-24-12)18(23)22-7-5-14(6-8-22)16(20)11-13-3-2-4-15(19)10-13;8*2-1-3/h2-4,9,11,13,16H,5-8,10,24H2,1H3;1-4,7,10,13,15,18H,5-6,8-9,11,22H2;1-3,6,9-10,13,15,18H,4-5,7-8,11,22H2;2*2-4,9,11-12,14,16H,5-8,10,20H2,1H3;1-4,7,10,12,14,17H,5-6,8-9,11,20H2;1-3,8,10-12,14,17H,4-7,9,20H2;2-4,9-10,14,16H,5-8,11,20H2,1H3;8*1H,(H,2,3)
InChIKeyKRPUQGXQDLBBIL-UHFFFAOYSA-N
XLogP20.98
TPSA835.73 Ų
H-Bond Donors16
H-Bond Acceptors40
Rotatable Bonds34
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003280.00
LogP ≤ 520.98
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid?
The IUPAC name of [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid (CID 159220509) is [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid.
What is the SMILES notation for [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid?
The canonical SMILES for [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid is Cc1cc(C(=O)N2CCC(C(N)Cc3cccc(Cl)c3)CC2)no1.Cn1cnc(C(=O)N2CCC(C(N)Cc3cccc(Cl)c3)CC2)c1.Cn1cncc1C(=O)N1CCC(C(N)Cc2cccc(Cl)c2)CC1.Cn1ncc(C(=O)N2CCC(C(N)Cc3cccc(Cl)c3)CC2)c1C(F)(F)F.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccn(C(F)F)n2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccnn2C(F)F)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccnnc2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2cncnc2)CC1.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.O=CO.
What is the InChIKey of [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid?
The InChIKey is KRPUQGXQDLBBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N4O.2C18H21ClF2N4O.2C18H23ClN4O.2C18H21ClN4O.C18H22ClN3O2.8CH2O2/c1-26-17(19(21,22)23)15(11-25-26)18(28)27-7-5-13(6-8-27)16(24)10-12-3-2-4-14(20)9-12;19-14-3-1-2-12(10-14)11-15(22)13-5-8-24(9-6-13)17(26)16-4-7-23-25(16)18(20)21;19-14-3-1-2-12(10-14)11-15(22)13-4-7-24(8-5-13)17(26)16-6-9-25(23-16)18(20)21;1-22-11-17(21-12-22)18(24)23-7-5-14(6-8-23)16(20)10-13-3-2-4-15(19)9-13;1-22-12-21-11-17(22)18(24)23-7-5-14(6-8-23)16(20)10-13-3-2-4-15(19)9-13;19-16-3-1-2-13(10-16)11-17(20)14-5-8-23(9-6-14)18(24)15-4-7-21-22-12-15;19-16-3-1-2-13(8-16)9-17(20)14-4-6-23(7-5-14)18(24)15-10-21-12-22-11-15;1-12-9-17(21-24-12)18(23)22-7-5-14(6-8-22)16(20)11-13-3-2-4-15(19)10-13;8*2-1-3/h2-4,9,11,13,16H,5-8,10,24H2,1H3;1-4,7,10,13,15,18H,5-6,8-9,11,22H2;1-3,6,9-10,13,15,18H,4-5,7-8,11,22H2;2*2-4,9,11-12,14,16H,5-8,10,20H2,1H3;1-4,7,10,12,14,17H,5-6,8-9,11,20H2;1-3,8,10-12,14,17H,4-7,9,20H2;2-4,9-10,14,16H,5-8,11,20H2,1H3;8*1H,(H,2,3).
What are the key properties of [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid?
[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid has a molecular weight of 3280.00 g/mol, XLogP of 20.98, 34 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-5-ylmethanone;formic acid is sourced from PubChem (CID 159220509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).