4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one

C177H361F5N28O14S — CID 159982922

IUPAC4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one
SMILESCC(=O)N(C)C1CCN(C(C)C)CC1.CC(=O)NC1(C)CCN(C(C)C)CC1.CC(=O)NC1CCN(C(C)C)CC1.CC(=O)NCC1CCN(C(C)C)CC1.CC(C)N1CCC(=O)CC1.CC(C)N1CCC(C(O)CCC(=O)C(F)(F)F)CC1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(C)(N)CC1.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(NS(C)(=O)=O)CC1.CC(C)N1CCC(O)CC1.CCC1(O)CCN(C(C)C)CC1.CCN(CC)C1(O)CCN(C(C)C)CC1.CNC1(C)CCN(C(C)C)CC1.COC1(C)CCN(C(C)C)CC1.[C-]#[N+]C1(C)CCN(C(C)C)CC1
InChIInChI=1S/C13H22F3NO2.C12H26N2O.3C11H22N2O.C10H20N2O.C10H22N2.C10H18N2.2C10H21NO.C10H21N.C9H20N2O2S.C9H20N2.C9H19NO.C8H15F2N.C8H18N2.C8H17NO.C8H15NO/c1-9(2)17-7-5-10(6-8-17)11(18)3-4-12(19)13(14,15)16;1-5-14(6-2)12(15)7-9-13(10-8-12)11(3)4;1-9(2)13-7-5-11(6-8-13)12(4)10(3)14;1-9(2)13-7-5-11(4,6-8-13)12-10(3)14;1-9(2)13-6-4-11(5-7-13)8-12-10(3)14;1-8(2)12-6-4-10(5-7-12)11-9(3)13;2*1-9(2)12-7-5-10(3,11-4)6-8-12;1-9(2)11-7-5-10(3,12-4)6-8-11;1-4-10(12)5-7-11(8-6-10)9(2)3;1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)11-6-4-9(5-7-11)10-14(3,12)13;1-8(2)11-6-4-9(3,10)5-7-11;1-8(2)10-6-4-9(3,11)5-7-10;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-3-8(9)4-6-10;2*1-7(2)9-5-3-8(10)4-6-9/h9-11,18H,3-8H2,1-2H3;11,15H,5-10H2,1-4H3;9,11H,5-8H2,1-4H3;9H,5-8H2,1-4H3,(H,12,14);9,11H,4-8H2,1-3H3,(H,12,14);8,10H,4-7H2,1-3H3,(H,11,13);9,11H,5-8H2,1-4H3;9H,5-8H2,1-3H3;9H,5-8H2,1-4H3;9,12H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3;8H,4-7,10H2,1-3H3;8,11H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyOFZQXQZFQWMOFK-UHFFFAOYSA-N
MW3233.07 g/mol
LogP26.26
Rot. Bonds35

About 4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one

4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one (PubChem CID 159982922) has the molecular formula C177H361F5N28O14S and a molecular weight of 3233.07 g/mol. Its IUPAC name is 4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one.

Molecular Properties

Compound Name4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one
PubChem CID159982922
Molecular FormulaC177H361F5N28O14S
Molecular Weight3233.07 g/mol
Exact Mass3230.80
IUPAC Name4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one
SMILESCC(=O)N(C)C1CCN(C(C)C)CC1.CC(=O)NC1(C)CCN(C(C)C)CC1.CC(=O)NC1CCN(C(C)C)CC1.CC(=O)NCC1CCN(C(C)C)CC1.CC(C)N1CCC(=O)CC1.CC(C)N1CCC(C(O)CCC(=O)C(F)(F)F)CC1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(C)(N)CC1.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(NS(C)(=O)=O)CC1.CC(C)N1CCC(O)CC1.CCC1(O)CCN(C(C)C)CC1.CCN(CC)C1(O)CCN(C(C)C)CC1.CNC1(C)CCN(C(C)C)CC1.COC1(C)CCN(C(C)C)CC1.[C-]#[N+]C1(C)CCN(C(C)C)CC1
InChIInChI=1S/C13H22F3NO2.C12H26N2O.3C11H22N2O.C10H20N2O.C10H22N2.C10H18N2.2C10H21NO.C10H21N.C9H20N2O2S.C9H20N2.C9H19NO.C8H15F2N.C8H18N2.C8H17NO.C8H15NO/c1-9(2)17-7-5-10(6-8-17)11(18)3-4-12(19)13(14,15)16;1-5-14(6-2)12(15)7-9-13(10-8-12)11(3)4;1-9(2)13-7-5-11(6-8-13)12(4)10(3)14;1-9(2)13-7-5-11(4,6-8-13)12-10(3)14;1-9(2)13-6-4-11(5-7-13)8-12-10(3)14;1-8(2)12-6-4-10(5-7-12)11-9(3)13;2*1-9(2)12-7-5-10(3,11-4)6-8-12;1-9(2)11-7-5-10(3,12-4)6-8-11;1-4-10(12)5-7-11(8-6-10)9(2)3;1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)11-6-4-9(5-7-11)10-14(3,12)13;1-8(2)11-6-4-9(3,10)5-7-11;1-8(2)10-6-4-9(3,11)5-7-10;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-3-8(9)4-6-10;2*1-7(2)9-5-3-8(10)4-6-9/h9-11,18H,3-8H2,1-2H3;11,15H,5-10H2,1-4H3;9,11H,5-8H2,1-4H3;9H,5-8H2,1-4H3,(H,12,14);9,11H,4-8H2,1-3H3,(H,12,14);8,10H,4-7H2,1-3H3,(H,11,13);9,11H,5-8H2,1-4H3;9H,5-8H2,1-3H3;9H,5-8H2,1-4H3;9,12H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3;8H,4-7,10H2,1-3H3;8,11H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyOFZQXQZFQWMOFK-UHFFFAOYSA-N
XLogP26.26
TPSA428.29 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003233.07
LogP ≤ 526.26
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one?
The IUPAC name of 4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one (CID 159982922) is 4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one.
What is the SMILES notation for 4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one?
The canonical SMILES for 4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one is CC(=O)N(C)C1CCN(C(C)C)CC1.CC(=O)NC1(C)CCN(C(C)C)CC1.CC(=O)NC1CCN(C(C)C)CC1.CC(=O)NCC1CCN(C(C)C)CC1.CC(C)N1CCC(=O)CC1.CC(C)N1CCC(C(O)CCC(=O)C(F)(F)F)CC1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(C)(N)CC1.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(NS(C)(=O)=O)CC1.CC(C)N1CCC(O)CC1.CCC1(O)CCN(C(C)C)CC1.CCN(CC)C1(O)CCN(C(C)C)CC1.CNC1(C)CCN(C(C)C)CC1.COC1(C)CCN(C(C)C)CC1.[C-]#[N+]C1(C)CCN(C(C)C)CC1.
What is the InChIKey of 4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one?
The InChIKey is OFZQXQZFQWMOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2.C12H26N2O.3C11H22N2O.C10H20N2O.C10H22N2.C10H18N2.2C10H21NO.C10H21N.C9H20N2O2S.C9H20N2.C9H19NO.C8H15F2N.C8H18N2.C8H17NO.C8H15NO/c1-9(2)17-7-5-10(6-8-17)11(18)3-4-12(19)13(14,15)16;1-5-14(6-2)12(15)7-9-13(10-8-12)11(3)4;1-9(2)13-7-5-11(6-8-13)12(4)10(3)14;1-9(2)13-7-5-11(4,6-8-13)12-10(3)14;1-9(2)13-6-4-11(5-7-13)8-12-10(3)14;1-8(2)12-6-4-10(5-7-12)11-9(3)13;2*1-9(2)12-7-5-10(3,11-4)6-8-12;1-9(2)11-7-5-10(3,12-4)6-8-11;1-4-10(12)5-7-11(8-6-10)9(2)3;1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)11-6-4-9(5-7-11)10-14(3,12)13;1-8(2)11-6-4-9(3,10)5-7-11;1-8(2)10-6-4-9(3,11)5-7-10;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-3-8(9)4-6-10;2*1-7(2)9-5-3-8(10)4-6-9/h9-11,18H,3-8H2,1-2H3;11,15H,5-10H2,1-4H3;9,11H,5-8H2,1-4H3;9H,5-8H2,1-4H3,(H,12,14);9,11H,4-8H2,1-3H3,(H,12,14);8,10H,4-7H2,1-3H3,(H,11,13);9,11H,5-8H2,1-4H3;9H,5-8H2,1-3H3;9H,5-8H2,1-4H3;9,12H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3;8H,4-7,10H2,1-3H3;8,11H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one?
4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one has a molecular weight of 3233.07 g/mol, XLogP of 26.26, 35 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one is sourced from PubChem (CID 159982922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).