N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine

C116H187N7O12 — CID 172980631

IUPACN-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine
SMILESCC(ON(C(c1ccccc1)C(C)C)C(C)(C)C)c1ccccc1.CCC1(C)C/C(=N/O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(C)CC(=O)C(C)C(C)(CC)N1OC.CCC1(C)CC(O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(C)CC(OC(C)=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(CC)CC(O)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C22H35NO3.C22H31NO.C20H32N2O2.C20H33NO2.C19H31NO2.C13H25NO2/c1-8-21(6)15-20(25-18(5)24)16(3)22(7,9-2)23(21)26-17(4)19-13-11-10-12-14-19;1-17(2)21(20-15-11-8-12-16-20)23(22(4,5)6)24-18(3)19-13-9-7-10-14-19;1-7-19(5)14-18(21-23)15(3)20(6,8-2)22(19)24-16(4)17-12-10-9-11-13-17;1-7-19(5)14-18(22)15(3)20(6,8-2)21(19)23-16(4)17-12-10-9-11-13-17;1-6-19(7-2)14-17(21)13-18(4,5)20(19)22-15(3)16-11-9-8-10-12-16;1-7-12(4)9-11(15)10(3)13(5,8-2)14(12)16-6/h10-14,16-17,20H,8-9,15H2,1-7H3;7-18,21H,1-6H3;9-13,15-16,23H,7-8,14H2,1-6H3;9-13,15-16,18,22H,7-8,14H2,1-6H3;8-12,15,17,21H,6-7,13-14H2,1-5H3;10H,7-9H2,1-6H3/b;;21-18-;;;
InChIKeyLHWKIWCIBTYCJW-MKLKERHNSA-N
MW1871.81 g/mol
LogP28.64
Rot. Bonds30

About N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine

N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine (PubChem CID 172980631) has the molecular formula C116H187N7O12 and a molecular weight of 1871.81 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine
PubChem CID172980631
Molecular FormulaC116H187N7O12
Molecular Weight1871.81 g/mol
Exact Mass1870.42
IUPAC NameN-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine
SMILESCC(ON(C(c1ccccc1)C(C)C)C(C)(C)C)c1ccccc1.CCC1(C)C/C(=N/O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(C)CC(=O)C(C)C(C)(CC)N1OC.CCC1(C)CC(O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(C)CC(OC(C)=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(CC)CC(O)CC(C)(C)N1OC(C)c1ccccc1
InChIInChI=1S/C22H35NO3.C22H31NO.C20H32N2O2.C20H33NO2.C19H31NO2.C13H25NO2/c1-8-21(6)15-20(25-18(5)24)16(3)22(7,9-2)23(21)26-17(4)19-13-11-10-12-14-19;1-17(2)21(20-15-11-8-12-16-20)23(22(4,5)6)24-18(3)19-13-9-7-10-14-19;1-7-19(5)14-18(21-23)15(3)20(6,8-2)22(19)24-16(4)17-12-10-9-11-13-17;1-7-19(5)14-18(22)15(3)20(6,8-2)21(19)23-16(4)17-12-10-9-11-13-17;1-6-19(7-2)14-17(21)13-18(4,5)20(19)22-15(3)16-11-9-8-10-12-16;1-7-12(4)9-11(15)10(3)13(5,8-2)14(12)16-6/h10-14,16-17,20H,8-9,15H2,1-7H3;7-18,21H,1-6H3;9-13,15-16,23H,7-8,14H2,1-6H3;9-13,15-16,18,22H,7-8,14H2,1-6H3;8-12,15,17,21H,6-7,13-14H2,1-5H3;10H,7-9H2,1-6H3/b;;21-18-;;;
InChIKeyLHWKIWCIBTYCJW-MKLKERHNSA-N
XLogP28.64
TPSA191.24 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001871.81
LogP ≤ 528.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine (CID 172980631) is N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine is CC(ON(C(c1ccccc1)C(C)C)C(C)(C)C)c1ccccc1.CCC1(C)C/C(=N/O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(C)CC(=O)C(C)C(C)(CC)N1OC.CCC1(C)CC(O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(C)CC(OC(C)=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(CC)CC(O)CC(C)(C)N1OC(C)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine?
The InChIKey is LHWKIWCIBTYCJW-MKLKERHNSA-N. The full InChI is InChI=1S/C22H35NO3.C22H31NO.C20H32N2O2.C20H33NO2.C19H31NO2.C13H25NO2/c1-8-21(6)15-20(25-18(5)24)16(3)22(7,9-2)23(21)26-17(4)19-13-11-10-12-14-19;1-17(2)21(20-15-11-8-12-16-20)23(22(4,5)6)24-18(3)19-13-9-7-10-14-19;1-7-19(5)14-18(21-23)15(3)20(6,8-2)22(19)24-16(4)17-12-10-9-11-13-17;1-7-19(5)14-18(22)15(3)20(6,8-2)21(19)23-16(4)17-12-10-9-11-13-17;1-6-19(7-2)14-17(21)13-18(4,5)20(19)22-15(3)16-11-9-8-10-12-16;1-7-12(4)9-11(15)10(3)13(5,8-2)14(12)16-6/h10-14,16-17,20H,8-9,15H2,1-7H3;7-18,21H,1-6H3;9-13,15-16,23H,7-8,14H2,1-6H3;9-13,15-16,18,22H,7-8,14H2,1-6H3;8-12,15,17,21H,6-7,13-14H2,1-5H3;10H,7-9H2,1-6H3/b;;21-18-;;;.
What are the key properties of N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine?
N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine has a molecular weight of 1871.81 g/mol, XLogP of 28.64, 30 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-ol;2,6-diethyl-1-methoxy-2,3,6-trimethylpiperidin-4-one;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] acetate;(NZ)-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 172980631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).