1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid)

C149H192Cl8F9N19O19 — CID 161312947

IUPAC1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid)
SMILESCC(C)(C)OC(=O)N1CCC(C(N)Cc2cccc(Cl)c2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)C2CC2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)C2CCOC2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)CC2CC2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2cccnc2)CC1.N[C@H](Cc1cccc(Cl)c1)C1CCN(C(=O)c2ncccn2)CC1.N[C@H](Cc1cccc(Cl)c1)C1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=CO.O=CO
InChIInChI=1S/C20H23ClN2O.C19H22ClN3O.C18H21ClN4O.C18H25ClN2O2.C18H27ClN2O2.C18H25ClN2O.C17H23ClN2O.C13H19ClN2.3C2HF3O2.2CH2O2/c21-18-8-4-5-15(13-18)14-19(22)16-9-11-23(12-10-16)20(24)17-6-2-1-3-7-17;20-17-5-1-3-14(11-17)12-18(21)15-6-9-23(10-7-15)19(24)16-4-2-8-22-13-16;19-15-4-1-3-13(11-15)12-16(20)14-5-9-23(10-6-14)18(24)17-21-7-2-8-22-17;19-16-3-1-2-13(10-16)11-17(20)14-4-7-21(8-5-14)18(22)15-6-9-23-12-15;1-18(2,3)23-17(22)21-9-7-14(8-10-21)16(20)12-13-5-4-6-15(19)11-13;19-16-3-1-2-14(10-16)11-17(20)15-6-8-21(9-7-15)18(22)12-13-4-5-13;18-15-3-1-2-12(10-15)11-16(19)13-6-8-20(9-7-13)17(21)14-4-5-14;14-12-3-1-2-10(8-12)9-13(15)11-4-6-16-7-5-11;3*3-2(4,5)1(6)7;2*2-1-3/h1-8,13,16,19H,9-12,14,22H2;1-5,8,11,13,15,18H,6-7,9-10,12,21H2;1-4,7-8,11,14,16H,5-6,9-10,12,20H2;1-3,10,14-15,17H,4-9,11-12,20H2;4-6,11,14,16H,7-10,12,20H2,1-3H3;1-3,10,13,15,17H,4-9,11-12,20H2;1-3,10,13-14,16H,4-9,11,19H2;1-3,8,11,13,16H,4-7,9,15H2;3*(H,6,7);2*1H,(H,2,3)/t;;16-;;;;;13-;;;;;/m..1....1...../s1
InChIKeyLXNVSOXRLDHBOG-HQMUFPMESA-N
MW3007.89 g/mol
LogP25.43
Rot. Bonds31

About 1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid)

1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid) (PubChem CID 161312947) has the molecular formula C149H192Cl8F9N19O19 and a molecular weight of 3007.89 g/mol. Its IUPAC name is 1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid)
PubChem CID161312947
Molecular FormulaC149H192Cl8F9N19O19
Molecular Weight3007.89 g/mol
Exact Mass3002.20
IUPAC Name1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid)
SMILESCC(C)(C)OC(=O)N1CCC(C(N)Cc2cccc(Cl)c2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)C2CC2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)C2CCOC2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)CC2CC2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2cccnc2)CC1.N[C@H](Cc1cccc(Cl)c1)C1CCN(C(=O)c2ncccn2)CC1.N[C@H](Cc1cccc(Cl)c1)C1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=CO.O=CO
InChIInChI=1S/C20H23ClN2O.C19H22ClN3O.C18H21ClN4O.C18H25ClN2O2.C18H27ClN2O2.C18H25ClN2O.C17H23ClN2O.C13H19ClN2.3C2HF3O2.2CH2O2/c21-18-8-4-5-15(13-18)14-19(22)16-9-11-23(12-10-16)20(24)17-6-2-1-3-7-17;20-17-5-1-3-14(11-17)12-18(21)15-6-9-23(10-7-15)19(24)16-4-2-8-22-13-16;19-15-4-1-3-13(11-15)12-16(20)14-5-9-23(10-6-14)18(24)17-21-7-2-8-22-17;19-16-3-1-2-13(10-16)11-17(20)14-4-7-21(8-5-14)18(22)15-6-9-23-12-15;1-18(2,3)23-17(22)21-9-7-14(8-10-21)16(20)12-13-5-4-6-15(19)11-13;19-16-3-1-2-14(10-16)11-17(20)15-6-8-21(9-7-15)18(22)12-13-4-5-13;18-15-3-1-2-12(10-15)11-16(19)13-6-8-20(9-7-13)17(21)14-4-5-14;14-12-3-1-2-10(8-12)9-13(15)11-4-6-16-7-5-11;3*3-2(4,5)1(6)7;2*2-1-3/h1-8,13,16,19H,9-12,14,22H2;1-5,8,11,13,15,18H,6-7,9-10,12,21H2;1-4,7-8,11,14,16H,5-6,9-10,12,20H2;1-3,10,14-15,17H,4-9,11-12,20H2;4-6,11,14,16H,7-10,12,20H2,1-3H3;1-3,10,13,15,17H,4-9,11-12,20H2;1-3,10,13-14,16H,4-9,11,19H2;1-3,8,11,13,16H,4-7,9,15H2;3*(H,6,7);2*1H,(H,2,3)/t;;16-;;;;;13-;;;;;/m..1....1...../s1
InChIKeyLXNVSOXRLDHBOG-HQMUFPMESA-N
XLogP25.43
TPSA605.99 Ų
H-Bond Donors14
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003007.89
LogP ≤ 525.43
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

N-[3-[3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carbonyl]phenyl]methanesulfonamide;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;[4-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,3,5-trifluorophenyl)ethyl]piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;2-(3-chlorophenyl)-1-piperidin-3-ylethanamine;2-(3-chlorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine;formic acid
CID 158163831

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid) (CID 161312947) is 1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid) is CC(C)(C)OC(=O)N1CCC(C(N)Cc2cccc(Cl)c2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)C2CC2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)C2CCOC2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)CC2CC2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1.NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2cccnc2)CC1.N[C@H](Cc1cccc(Cl)c1)C1CCN(C(=O)c2ncccn2)CC1.N[C@H](Cc1cccc(Cl)c1)C1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=CO.O=CO.
What is the InChIKey of 1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is LXNVSOXRLDHBOG-HQMUFPMESA-N. The full InChI is InChI=1S/C20H23ClN2O.C19H22ClN3O.C18H21ClN4O.C18H25ClN2O2.C18H27ClN2O2.C18H25ClN2O.C17H23ClN2O.C13H19ClN2.3C2HF3O2.2CH2O2/c21-18-8-4-5-15(13-18)14-19(22)16-9-11-23(12-10-16)20(24)17-6-2-1-3-7-17;20-17-5-1-3-14(11-17)12-18(21)15-6-9-23(10-7-15)19(24)16-4-2-8-22-13-16;19-15-4-1-3-13(11-15)12-16(20)14-5-9-23(10-6-14)18(24)17-21-7-2-8-22-17;19-16-3-1-2-13(10-16)11-17(20)14-4-7-21(8-5-14)18(22)15-6-9-23-12-15;1-18(2,3)23-17(22)21-9-7-14(8-10-21)16(20)12-13-5-4-6-15(19)11-13;19-16-3-1-2-14(10-16)11-17(20)15-6-8-21(9-7-15)18(22)12-13-4-5-13;18-15-3-1-2-12(10-15)11-16(19)13-6-8-20(9-7-13)17(21)14-4-5-14;14-12-3-1-2-10(8-12)9-13(15)11-4-6-16-7-5-11;3*3-2(4,5)1(6)7;2*2-1-3/h1-8,13,16,19H,9-12,14,22H2;1-5,8,11,13,15,18H,6-7,9-10,12,21H2;1-4,7-8,11,14,16H,5-6,9-10,12,20H2;1-3,10,14-15,17H,4-9,11-12,20H2;4-6,11,14,16H,7-10,12,20H2,1-3H3;1-3,10,13,15,17H,4-9,11-12,20H2;1-3,10,13-14,16H,4-9,11,19H2;1-3,8,11,13,16H,4-7,9,15H2;3*(H,6,7);2*1H,(H,2,3)/t;;16-;;;;;13-;;;;;/m..1....1...../s1.
What are the key properties of 1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid)?
1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 3007.89 g/mol, XLogP of 25.43, 31 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-2-cyclopropylethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-phenylmethanone;[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone;[4-[(1R)-1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone;tert-butyl 4-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate;(1R)-2-(3-chlorophenyl)-1-piperidin-4-ylethanamine;formic acid;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 161312947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).