1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one

C218H452F5N37O14S — CID 159318747

IUPAC1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;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(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.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CC2)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CCC1(O)CCN(C(C)C)CC1.CCN(CC)C1(O)CCN(C(C)C)CC1.CCN1CCN(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.2C11H22N2O.C11H24N2.C10H20N2O.C10H20N2.C10H22N2.C10H18N2.2C10H21NO.C10H21N.C9H20N2O2S.2C9H20N2.C9H19NO.C8H15F2N.2C8H18N2.C8H17NO.C8H15NO.C7H16N2.C7H15NO/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;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-8(2)12-6-4-10(5-7-12)11-9(3)13;1-9(2)11-5-7-12(8-6-11)10-3-4-10;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;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3,11)5-7-10;1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;2*1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/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);10H,6-9H2,1-5H3;8,10H,4-7H2,1-3H3,(H,11,13);9-10H,3-8H2,1-2H3;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;9H,4-8H2,1-3H3;8,11H,4-7H2,1-3H3;7H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyLDMFDGZBQMFHBY-UHFFFAOYSA-N
MW3943.32 g/mol
LogP30.70
Rot. Bonds40

About 1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one

1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one (PubChem CID 159318747) has the molecular formula C218H452F5N37O14S and a molecular weight of 3943.32 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one
PubChem CID159318747
Molecular FormulaC218H452F5N37O14S
Molecular Weight3943.32 g/mol
Exact Mass3940.54
IUPAC Name1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;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(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.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CC2)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CCC1(O)CCN(C(C)C)CC1.CCN(CC)C1(O)CCN(C(C)C)CC1.CCN1CCN(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.2C11H22N2O.C11H24N2.C10H20N2O.C10H20N2.C10H22N2.C10H18N2.2C10H21NO.C10H21N.C9H20N2O2S.2C9H20N2.C9H19NO.C8H15F2N.2C8H18N2.C8H17NO.C8H15NO.C7H16N2.C7H15NO/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;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-8(2)12-6-4-10(5-7-12)11-9(3)13;1-9(2)11-5-7-12(8-6-11)10-3-4-10;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;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3,11)5-7-10;1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;2*1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/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);10H,6-9H2,1-5H3;8,10H,4-7H2,1-3H3,(H,11,13);9-10H,3-8H2,1-2H3;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;9H,4-8H2,1-3H3;8,11H,4-7H2,1-3H3;7H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyLDMFDGZBQMFHBY-UHFFFAOYSA-N
XLogP30.70
TPSA449.61 Ų
H-Bond Donors12
H-Bond Acceptors46
Rotatable Bonds40
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003943.32
LogP ≤ 530.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1046

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 1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one?
The IUPAC name of 1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one (CID 159318747) is 1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;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(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.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CC2)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CCC1(O)CCN(C(C)C)CC1.CCN(CC)C1(O)CCN(C(C)C)CC1.CCN1CCN(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 1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one?
The InChIKey is LDMFDGZBQMFHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2.C12H26N2O.2C11H22N2O.C11H24N2.C10H20N2O.C10H20N2.C10H22N2.C10H18N2.2C10H21NO.C10H21N.C9H20N2O2S.2C9H20N2.C9H19NO.C8H15F2N.2C8H18N2.C8H17NO.C8H15NO.C7H16N2.C7H15NO/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;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-8(2)12-6-4-10(5-7-12)11-9(3)13;1-9(2)11-5-7-12(8-6-11)10-3-4-10;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;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3,11)5-7-10;1-7(2)11-5-3-8(9,10)4-6-11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;2*1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/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);10H,6-9H2,1-5H3;8,10H,4-7H2,1-3H3,(H,11,13);9-10H,3-8H2,1-2H3;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;9H,4-8H2,1-3H3;8,11H,4-7H2,1-3H3;7H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one?
1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one has a molecular weight of 3943.32 g/mol, XLogP of 30.70, 40 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylpiperazine;1-cyclopropyl-4-propan-2-ylpiperazine;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;1-ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidin-4-ol;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;1,1,1-trifluoro-5-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)pentan-2-one is sourced from PubChem (CID 159318747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).