1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C168H361F6N27O6 — CID 161009696

IUPAC1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESC1CC(N2CCOCC2)CCN1.C1CCN(C2CCNC2)C1.C1CCN(C2CCNCC2)C1.CC(C)(C)N1CCC(N2CCC(F)C2)CC1.CC(C)(C)N1CCC(N2CCC(O)C2)CC1.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)C.CC(C)C.CC(C)C(=O)NC1CCNC1.CCNC1CCNCC1.CNC1CCNCC1.FC(F)(F)CNC1CCNC1.FC1CCN(C2CCNCC2)CC1.FC1CN(C2CCNCC2)C1.OC1CCN(C2CCNCC2)CC1.OC1CCNCC1.OC1CN(C2CCNCC2)C1
InChIInChI=1S/C13H25FN2.C13H26N2O.C10H19FN2.C10H20N2O.C9H18N2O.C9H18N2.C8H15FN2.2C8H16N2O.C8H16N2.C7H16N2.C6H11F3N2.C6H14N2.C5H11NO.12C4H10/c1-13(2,3)16-8-5-12(6-9-16)15-7-4-11(14)10-15;1-13(2,3)15-8-4-11(5-9-15)14-7-6-12(16)10-14;11-9-3-7-13(8-4-9)10-1-5-12-6-2-10;13-10-3-7-12(8-4-10)9-1-5-11-6-2-9;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-2-8-11(7-1)9-3-5-10-6-4-9;9-7-5-11(6-7)8-1-3-10-4-2-8;11-8-5-10(6-8)7-1-3-9-4-2-7;1-6(2)8(11)10-7-3-4-9-5-7;1-2-6-10(5-1)8-3-4-9-7-8;1-2-9-7-3-5-8-6-4-7;7-6(8,9)4-11-5-1-2-10-3-5;1-7-6-2-4-8-5-3-6;7-5-1-3-6-4-2-5;12*1-4(2)3/h11-12H,4-10H2,1-3H3;11-12,16H,4-10H2,1-3H3;9-10,12H,1-8H2;9-11,13H,1-8H2;9-10H,1-8H2;9-10H,1-8H2;7-8,10H,1-6H2;7-9,11H,1-6H2;6-7,9H,3-5H2,1-2H3,(H,10,11);8-9H,1-7H2;7-9H,2-6H2,1H3;5,10-11H,1-4H2;6-8H,2-5H2,1H3;5-7H,1-4H2;12*4H,1-3H3
InChIKeyTWYWOPOREYELPX-UHFFFAOYSA-N
MW2969.91 g/mol
LogP26.74
Rot. Bonds16

About 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 161009696) has the molecular formula C168H361F6N27O6 and a molecular weight of 2969.91 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID161009696
Molecular FormulaC168H361F6N27O6
Molecular Weight2969.91 g/mol
Exact Mass2967.87
IUPAC Name1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESC1CC(N2CCOCC2)CCN1.C1CCN(C2CCNC2)C1.C1CCN(C2CCNCC2)C1.CC(C)(C)N1CCC(N2CCC(F)C2)CC1.CC(C)(C)N1CCC(N2CCC(O)C2)CC1.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)C.CC(C)C.CC(C)C(=O)NC1CCNC1.CCNC1CCNCC1.CNC1CCNCC1.FC(F)(F)CNC1CCNC1.FC1CCN(C2CCNCC2)CC1.FC1CN(C2CCNCC2)C1.OC1CCN(C2CCNCC2)CC1.OC1CCNCC1.OC1CN(C2CCNCC2)C1
InChIInChI=1S/C13H25FN2.C13H26N2O.C10H19FN2.C10H20N2O.C9H18N2O.C9H18N2.C8H15FN2.2C8H16N2O.C8H16N2.C7H16N2.C6H11F3N2.C6H14N2.C5H11NO.12C4H10/c1-13(2,3)16-8-5-12(6-9-16)15-7-4-11(14)10-15;1-13(2,3)15-8-4-11(5-9-15)14-7-6-12(16)10-14;11-9-3-7-13(8-4-9)10-1-5-12-6-2-10;13-10-3-7-12(8-4-10)9-1-5-11-6-2-9;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-2-8-11(7-1)9-3-5-10-6-4-9;9-7-5-11(6-7)8-1-3-10-4-2-8;11-8-5-10(6-8)7-1-3-9-4-2-7;1-6(2)8(11)10-7-3-4-9-5-7;1-2-6-10(5-1)8-3-4-9-7-8;1-2-9-7-3-5-8-6-4-7;7-6(8,9)4-11-5-1-2-10-3-5;1-7-6-2-4-8-5-3-6;7-5-1-3-6-4-2-5;12*1-4(2)3/h11-12H,4-10H2,1-3H3;11-12,16H,4-10H2,1-3H3;9-10,12H,1-8H2;9-11,13H,1-8H2;9-10H,1-8H2;9-10H,1-8H2;7-8,10H,1-6H2;7-9,11H,1-6H2;6-7,9H,3-5H2,1-2H3,(H,10,11);8-9H,1-7H2;7-9H,2-6H2,1H3;5,10-11H,1-4H2;6-8H,2-5H2,1H3;5-7H,1-4H2;12*4H,1-3H3
InChIKeyTWYWOPOREYELPX-UHFFFAOYSA-N
XLogP26.74
TPSA335.34 Ų
H-Bond Donors20
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002969.91
LogP ≤ 526.74
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1032

Analyze 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 161009696) is 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is C1CC(N2CCOCC2)CCN1.C1CCN(C2CCNC2)C1.C1CCN(C2CCNCC2)C1.CC(C)(C)N1CCC(N2CCC(F)C2)CC1.CC(C)(C)N1CCC(N2CCC(O)C2)CC1.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)C.CC(C)C.CC(C)C(=O)NC1CCNC1.CCNC1CCNCC1.CNC1CCNCC1.FC(F)(F)CNC1CCNC1.FC1CCN(C2CCNCC2)CC1.FC1CN(C2CCNCC2)C1.OC1CCN(C2CCNCC2)CC1.OC1CCNCC1.OC1CN(C2CCNCC2)C1.
What is the InChIKey of 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is TWYWOPOREYELPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2.C13H26N2O.C10H19FN2.C10H20N2O.C9H18N2O.C9H18N2.C8H15FN2.2C8H16N2O.C8H16N2.C7H16N2.C6H11F3N2.C6H14N2.C5H11NO.12C4H10/c1-13(2,3)16-8-5-12(6-9-16)15-7-4-11(14)10-15;1-13(2,3)15-8-4-11(5-9-15)14-7-6-12(16)10-14;11-9-3-7-13(8-4-9)10-1-5-12-6-2-10;13-10-3-7-12(8-4-10)9-1-5-11-6-2-9;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-2-8-11(7-1)9-3-5-10-6-4-9;9-7-5-11(6-7)8-1-3-10-4-2-8;11-8-5-10(6-8)7-1-3-9-4-2-7;1-6(2)8(11)10-7-3-4-9-5-7;1-2-6-10(5-1)8-3-4-9-7-8;1-2-9-7-3-5-8-6-4-7;7-6(8,9)4-11-5-1-2-10-3-5;1-7-6-2-4-8-5-3-6;7-5-1-3-6-4-2-5;12*1-4(2)3/h11-12H,4-10H2,1-3H3;11-12,16H,4-10H2,1-3H3;9-10,12H,1-8H2;9-11,13H,1-8H2;9-10H,1-8H2;9-10H,1-8H2;7-8,10H,1-6H2;7-9,11H,1-6H2;6-7,9H,3-5H2,1-2H3,(H,10,11);8-9H,1-7H2;7-9H,2-6H2,1H3;5,10-11H,1-4H2;6-8H,2-5H2,1H3;5-7H,1-4H2;12*4H,1-3H3.
What are the key properties of 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 2969.91 g/mol, XLogP of 26.74, 16 rotatable bonds, 20 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;N-ethylpiperidin-4-amine;4-(3-fluoroazetidin-1-yl)piperidine;4-fluoro-1-piperidin-4-ylpiperidine;N-methylpiperidin-4-amine;dodecakis(2-methylpropane);2-methyl-N-pyrrolidin-3-ylpropanamide;piperidin-4-ol;1-piperidin-4-ylazetidin-3-ol;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidin-4-ol;4-pyrrolidin-1-ylpiperidine;1-pyrrolidin-3-ylpyrrolidine;N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 161009696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).