azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol

C222H485N23O18 — CID 161250658

IUPACazetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol
SMILESCC(C)(C)CCCN1CCCC1.CC(C)(C)OC1CCCC1.CC(C)(C)OC1CCCNC1.CC(C)(C)OC1CN2CCC1CC2.CC(C)(C)OCCCN1CCCC1.CC(C)(C)OCCCN1CCCCC1.CC(C)(C)OCCN1CCCC1.CC(C)(C)OCCN1CCCCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCC(O)CC1.CCCN1CCC(O)CC1.CCN1CCC(NC(C)(C)C)CC1.CCN1CCC(O)C(C)C1.CCN1CCC(O)C1.CCN1CCC(O)CC1.CCN1CCC(O)CC1.CCN1CCN(C(C)(C)C)CC1.CN(C)CCCN.CN1C2CCC1CC(OC(C)(C)C)C2.COCCN1CCC(O)CC1.OC1CCNCC1.OC1CNC1
InChIInChI=1S/C12H23NO.C12H25NO.C11H24N2.C11H21NO.2C11H23NO.C11H23N.C10H22N2.C10H21NO.C9H19NO.C9H18O.C8H17NO2.3C8H17NO.2C7H15NO.C6H13NO.C5H14N2.C5H11NO.10C4H10.C3H7NO/c1-12(2,3)14-11-7-9-5-6-10(8-11)13(9)4;1-12(2,3)14-11-7-10-13-8-5-4-6-9-13;1-5-13-8-6-10(7-9-13)12-11(2,3)4;1-11(2,3)13-10-8-12-6-4-9(10)5-7-12;1-11(2,3)13-10-6-9-12-7-4-5-8-12;1-11(2,3)13-10-9-12-7-5-4-6-8-12;1-11(2,3)7-6-10-12-8-4-5-9-12;1-5-11-6-8-12(9-7-11)10(2,3)4;1-10(2,3)12-9-8-11-6-4-5-7-11;1-9(2,3)11-8-5-4-6-10-7-8;1-9(2,3)10-8-6-4-5-7-8;1-11-7-6-9-4-2-8(10)3-5-9;1-7(2)9-5-3-8(10)4-6-9;1-3-9-5-4-8(10)7(2)6-9;1-2-5-9-6-3-8(10)4-7-9;2*1-2-8-5-3-7(9)4-6-8;1-2-7-4-3-6(8)5-7;1-7(2)5-3-4-6;7-5-1-3-6-4-2-5;10*1-4(2)3;5-3-1-4-2-3/h9-11H,5-8H2,1-4H3;4-11H2,1-3H3;10,12H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;2*4-10H2,1-3H3;4-10H2,1-3H3;5-9H2,1-4H3;4-9H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8,10H,2-7H2,1H3;2*7-8,10H,3-6H2,1-2H3;8,10H,2-7H2,1H3;2*7,9H,2-6H2,1H3;6,8H,2-5H2,1H3;3-6H2,1-2H3;5-7H,1-4H2;10*4H,1-3H3;3-5H,1-2H2
InChIKeyVBFNGIWLQKOSOR-UHFFFAOYSA-N
MW3765.46 g/mol
LogP42.66
Rot. Bonds37

About azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol

azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol (PubChem CID 161250658) has the molecular formula C222H485N23O18 and a molecular weight of 3765.46 g/mol. Its IUPAC name is azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol.

Molecular Properties

Compound Nameazetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol
PubChem CID161250658
Molecular FormulaC222H485N23O18
Molecular Weight3765.46 g/mol
Exact Mass3762.77
IUPAC Nameazetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol
SMILESCC(C)(C)CCCN1CCCC1.CC(C)(C)OC1CCCC1.CC(C)(C)OC1CCCNC1.CC(C)(C)OC1CN2CCC1CC2.CC(C)(C)OCCCN1CCCC1.CC(C)(C)OCCCN1CCCCC1.CC(C)(C)OCCN1CCCC1.CC(C)(C)OCCN1CCCCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCC(O)CC1.CCCN1CCC(O)CC1.CCN1CCC(NC(C)(C)C)CC1.CCN1CCC(O)C(C)C1.CCN1CCC(O)C1.CCN1CCC(O)CC1.CCN1CCC(O)CC1.CCN1CCN(C(C)(C)C)CC1.CN(C)CCCN.CN1C2CCC1CC(OC(C)(C)C)C2.COCCN1CCC(O)CC1.OC1CCNCC1.OC1CNC1
InChIInChI=1S/C12H23NO.C12H25NO.C11H24N2.C11H21NO.2C11H23NO.C11H23N.C10H22N2.C10H21NO.C9H19NO.C9H18O.C8H17NO2.3C8H17NO.2C7H15NO.C6H13NO.C5H14N2.C5H11NO.10C4H10.C3H7NO/c1-12(2,3)14-11-7-9-5-6-10(8-11)13(9)4;1-12(2,3)14-11-7-10-13-8-5-4-6-9-13;1-5-13-8-6-10(7-9-13)12-11(2,3)4;1-11(2,3)13-10-8-12-6-4-9(10)5-7-12;1-11(2,3)13-10-6-9-12-7-4-5-8-12;1-11(2,3)13-10-9-12-7-5-4-6-8-12;1-11(2,3)7-6-10-12-8-4-5-9-12;1-5-11-6-8-12(9-7-11)10(2,3)4;1-10(2,3)12-9-8-11-6-4-5-7-11;1-9(2,3)11-8-5-4-6-10-7-8;1-9(2,3)10-8-6-4-5-7-8;1-11-7-6-9-4-2-8(10)3-5-9;1-7(2)9-5-3-8(10)4-6-9;1-3-9-5-4-8(10)7(2)6-9;1-2-5-9-6-3-8(10)4-7-9;2*1-2-8-5-3-7(9)4-6-8;1-2-7-4-3-6(8)5-7;1-7(2)5-3-4-6;7-5-1-3-6-4-2-5;10*1-4(2)3;5-3-1-4-2-3/h9-11H,5-8H2,1-4H3;4-11H2,1-3H3;10,12H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;2*4-10H2,1-3H3;4-10H2,1-3H3;5-9H2,1-4H3;4-9H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8,10H,2-7H2,1H3;2*7-8,10H,3-6H2,1-2H3;8,10H,2-7H2,1H3;2*7,9H,2-6H2,1H3;6,8H,2-5H2,1H3;3-6H2,1-2H3;5-7H,1-4H2;10*4H,1-3H3;3-5H,1-2H2
InChIKeyVBFNGIWLQKOSOR-UHFFFAOYSA-N
XLogP42.66
TPSA397.60 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds37
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003765.46
LogP ≤ 542.66
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol?
The IUPAC name of azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol (CID 161250658) is azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol.
What is the SMILES notation for azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol?
The canonical SMILES for azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol is CC(C)(C)CCCN1CCCC1.CC(C)(C)OC1CCCC1.CC(C)(C)OC1CCCNC1.CC(C)(C)OC1CN2CCC1CC2.CC(C)(C)OCCCN1CCCC1.CC(C)(C)OCCCN1CCCCC1.CC(C)(C)OCCN1CCCC1.CC(C)(C)OCCN1CCCCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCC(O)CC1.CCCN1CCC(O)CC1.CCN1CCC(NC(C)(C)C)CC1.CCN1CCC(O)C(C)C1.CCN1CCC(O)C1.CCN1CCC(O)CC1.CCN1CCC(O)CC1.CCN1CCN(C(C)(C)C)CC1.CN(C)CCCN.CN1C2CCC1CC(OC(C)(C)C)C2.COCCN1CCC(O)CC1.OC1CCNCC1.OC1CNC1.
What is the InChIKey of azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol?
The InChIKey is VBFNGIWLQKOSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C12H25NO.C11H24N2.C11H21NO.2C11H23NO.C11H23N.C10H22N2.C10H21NO.C9H19NO.C9H18O.C8H17NO2.3C8H17NO.2C7H15NO.C6H13NO.C5H14N2.C5H11NO.10C4H10.C3H7NO/c1-12(2,3)14-11-7-9-5-6-10(8-11)13(9)4;1-12(2,3)14-11-7-10-13-8-5-4-6-9-13;1-5-13-8-6-10(7-9-13)12-11(2,3)4;1-11(2,3)13-10-8-12-6-4-9(10)5-7-12;1-11(2,3)13-10-6-9-12-7-4-5-8-12;1-11(2,3)13-10-9-12-7-5-4-6-8-12;1-11(2,3)7-6-10-12-8-4-5-9-12;1-5-11-6-8-12(9-7-11)10(2,3)4;1-10(2,3)12-9-8-11-6-4-5-7-11;1-9(2,3)11-8-5-4-6-10-7-8;1-9(2,3)10-8-6-4-5-7-8;1-11-7-6-9-4-2-8(10)3-5-9;1-7(2)9-5-3-8(10)4-6-9;1-3-9-5-4-8(10)7(2)6-9;1-2-5-9-6-3-8(10)4-7-9;2*1-2-8-5-3-7(9)4-6-8;1-2-7-4-3-6(8)5-7;1-7(2)5-3-4-6;7-5-1-3-6-4-2-5;10*1-4(2)3;5-3-1-4-2-3/h9-11H,5-8H2,1-4H3;4-11H2,1-3H3;10,12H,5-9H2,1-4H3;9-10H,4-8H2,1-3H3;2*4-10H2,1-3H3;4-10H2,1-3H3;5-9H2,1-4H3;4-9H2,1-3H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8,10H,2-7H2,1H3;2*7-8,10H,3-6H2,1-2H3;8,10H,2-7H2,1H3;2*7,9H,2-6H2,1H3;6,8H,2-5H2,1H3;3-6H2,1-2H3;5-7H,1-4H2;10*4H,1-3H3;3-5H,1-2H2.
What are the key properties of azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol?
azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol has a molecular weight of 3765.46 g/mol, XLogP of 42.66, 37 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ol;1-tert-butyl-4-ethylpiperazine;N-tert-butyl-1-ethylpiperidin-4-amine;1-(4,4-dimethylpentyl)pyrrolidine;N',N'-dimethylpropane-1,3-diamine;1-ethyl-3-methylpiperidin-4-ol;bis(1-ethylpiperidin-4-ol);1-ethylpyrrolidin-3-ol;1-(2-methoxyethyl)piperidin-4-ol;8-methyl-3-[(2-methylpropan-2-yl)oxy]-8-azabicyclo[3.2.1]octane;decakis(2-methylpropane);3-[(2-methylpropan-2-yl)oxy]-1-azabicyclo[2.2.2]octane;(2-methylpropan-2-yl)oxycyclopentane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;3-[(2-methylpropan-2-yl)oxy]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;piperidin-4-ol;1-propan-2-ylpiperidin-4-ol;1-propylpiperidin-4-ol is sourced from PubChem (CID 161250658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).