2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol

C167H343F4N23O16S — CID 157428847

IUPAC2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(C)CN1CC(C(C)(C)O)C1.CC(C)(C)CN1CCC(F)(F)C1.CC(C)(C)CN1CCC(F)(F)CC1.CC(C)(C)CN1CCC[C@@H]1C(=O)O.CC(C)(C)CN1CCC[C@@H]1C(N)=O.CC(C)(C)CN1CCC[C@H]1C(=O)O.CC(C)(C)CN1CCC[C@H]1C(C)(C)O.CC(C)(C)CN1CCC[C@H]1C(N)=O.CC(C)(C)CN1CCN(CC(C)(C)O)CC1.CC(C)(C)CN1CCN(CCO)CC1.CC(C)(C)CN1CCN(S(C)(=O)=O)CC1.CC(C)(C)CN1CCNC(=O)C1.CC(C)(C)CN1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)CN1CC[C@@H](C(C)(C)O)C1.CC(C)(C)CN1CC[C@H](C(C)(C)O)C1
InChIInChI=1S/C13H28N2O.3C12H25NO.C11H24N2O.C11H23NO.C10H19F2N.C10H22N2O2S.2C10H20N2O.2C10H19NO2.C9H17F2N.C9H18N2O.C9H20N2.C9H19NO/c1-12(2,3)10-14-6-8-15(9-7-14)11-13(4,5)16;2*1-11(2,3)9-13-7-6-10(8-13)12(4,5)14;1-11(2,3)9-13-8-6-7-10(13)12(4,5)14;1-11(2,3)10-13-6-4-12(5-7-13)8-9-14;1-10(2,3)8-12-6-9(7-12)11(4,5)13;1-9(2,3)8-13-6-4-10(11,12)5-7-13;1-10(2,3)9-11-5-7-12(8-6-11)15(4,13)14;2*1-10(2,3)7-12-6-4-5-8(12)9(11)13;2*1-10(2,3)7-11-6-4-5-8(11)9(12)13;1-8(2,3)6-12-5-4-9(10,11)7-12;1-9(2,3)7-11-5-4-10-8(12)6-11;1-9(2,3)8-11-6-4-10-5-7-11;1-9(2,3)8-10-4-6-11-7-5-10/h16H,6-11H2,1-5H3;3*10,14H,6-9H2,1-5H3;14H,4-10H2,1-3H3;9,13H,6-8H2,1-5H3;4-8H2,1-3H3;5-9H2,1-4H3;2*8H,4-7H2,1-3H3,(H2,11,13);2*8H,4-7H2,1-3H3,(H,12,13);4-7H2,1-3H3;4-7H2,1-3H3,(H,10,12);10H,4-8H2,1-3H3;4-8H2,1-3H3/t;3*10-;;;;;4*8-;;;;/m.100....1010..../s1
InChIKeyBQHBZNUJKCQYTR-QNXHXECGSA-N
MW3037.78 g/mol
LogP23.96
Rot. Bonds29

About 2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol

2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol (PubChem CID 157428847) has the molecular formula C167H343F4N23O16S and a molecular weight of 3037.78 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol
PubChem CID157428847
Molecular FormulaC167H343F4N23O16S
Molecular Weight3037.78 g/mol
Exact Mass3035.64
IUPAC Name2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(C)CN1CC(C(C)(C)O)C1.CC(C)(C)CN1CCC(F)(F)C1.CC(C)(C)CN1CCC(F)(F)CC1.CC(C)(C)CN1CCC[C@@H]1C(=O)O.CC(C)(C)CN1CCC[C@@H]1C(N)=O.CC(C)(C)CN1CCC[C@H]1C(=O)O.CC(C)(C)CN1CCC[C@H]1C(C)(C)O.CC(C)(C)CN1CCC[C@H]1C(N)=O.CC(C)(C)CN1CCN(CC(C)(C)O)CC1.CC(C)(C)CN1CCN(CCO)CC1.CC(C)(C)CN1CCN(S(C)(=O)=O)CC1.CC(C)(C)CN1CCNC(=O)C1.CC(C)(C)CN1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)CN1CC[C@@H](C(C)(C)O)C1.CC(C)(C)CN1CC[C@H](C(C)(C)O)C1
InChIInChI=1S/C13H28N2O.3C12H25NO.C11H24N2O.C11H23NO.C10H19F2N.C10H22N2O2S.2C10H20N2O.2C10H19NO2.C9H17F2N.C9H18N2O.C9H20N2.C9H19NO/c1-12(2,3)10-14-6-8-15(9-7-14)11-13(4,5)16;2*1-11(2,3)9-13-7-6-10(8-13)12(4,5)14;1-11(2,3)9-13-8-6-7-10(13)12(4,5)14;1-11(2,3)10-13-6-4-12(5-7-13)8-9-14;1-10(2,3)8-12-6-9(7-12)11(4,5)13;1-9(2,3)8-13-6-4-10(11,12)5-7-13;1-10(2,3)9-11-5-7-12(8-6-11)15(4,13)14;2*1-10(2,3)7-12-6-4-5-8(12)9(11)13;2*1-10(2,3)7-11-6-4-5-8(11)9(12)13;1-8(2,3)6-12-5-4-9(10,11)7-12;1-9(2,3)7-11-5-4-10-8(12)6-11;1-9(2,3)8-11-6-4-10-5-7-11;1-9(2,3)8-10-4-6-11-7-5-10/h16H,6-11H2,1-5H3;3*10,14H,6-9H2,1-5H3;14H,4-10H2,1-3H3;9,13H,6-8H2,1-5H3;4-8H2,1-3H3;5-9H2,1-4H3;2*8H,4-7H2,1-3H3,(H2,11,13);2*8H,4-7H2,1-3H3,(H,12,13);4-7H2,1-3H3;4-7H2,1-3H3,(H,10,12);10H,4-8H2,1-3H3;4-8H2,1-3H3/t;3*10-;;;;;4*8-;;;;/m.100....1010..../s1
InChIKeyBQHBZNUJKCQYTR-QNXHXECGSA-N
XLogP23.96
TPSA428.22 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003037.78
LogP ≤ 523.96
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol (CID 157428847) is 2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol is CC(C)(C)CN1CC(C(C)(C)O)C1.CC(C)(C)CN1CCC(F)(F)C1.CC(C)(C)CN1CCC(F)(F)CC1.CC(C)(C)CN1CCC[C@@H]1C(=O)O.CC(C)(C)CN1CCC[C@@H]1C(N)=O.CC(C)(C)CN1CCC[C@H]1C(=O)O.CC(C)(C)CN1CCC[C@H]1C(C)(C)O.CC(C)(C)CN1CCC[C@H]1C(N)=O.CC(C)(C)CN1CCN(CC(C)(C)O)CC1.CC(C)(C)CN1CCN(CCO)CC1.CC(C)(C)CN1CCN(S(C)(=O)=O)CC1.CC(C)(C)CN1CCNC(=O)C1.CC(C)(C)CN1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)CN1CC[C@@H](C(C)(C)O)C1.CC(C)(C)CN1CC[C@H](C(C)(C)O)C1.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol?
The InChIKey is BQHBZNUJKCQYTR-QNXHXECGSA-N. The full InChI is InChI=1S/C13H28N2O.3C12H25NO.C11H24N2O.C11H23NO.C10H19F2N.C10H22N2O2S.2C10H20N2O.2C10H19NO2.C9H17F2N.C9H18N2O.C9H20N2.C9H19NO/c1-12(2,3)10-14-6-8-15(9-7-14)11-13(4,5)16;2*1-11(2,3)9-13-7-6-10(8-13)12(4,5)14;1-11(2,3)9-13-8-6-7-10(13)12(4,5)14;1-11(2,3)10-13-6-4-12(5-7-13)8-9-14;1-10(2,3)8-12-6-9(7-12)11(4,5)13;1-9(2,3)8-13-6-4-10(11,12)5-7-13;1-10(2,3)9-11-5-7-12(8-6-11)15(4,13)14;2*1-10(2,3)7-12-6-4-5-8(12)9(11)13;2*1-10(2,3)7-11-6-4-5-8(11)9(12)13;1-8(2,3)6-12-5-4-9(10,11)7-12;1-9(2,3)7-11-5-4-10-8(12)6-11;1-9(2,3)8-11-6-4-10-5-7-11;1-9(2,3)8-10-4-6-11-7-5-10/h16H,6-11H2,1-5H3;3*10,14H,6-9H2,1-5H3;14H,4-10H2,1-3H3;9,13H,6-8H2,1-5H3;4-8H2,1-3H3;5-9H2,1-4H3;2*8H,4-7H2,1-3H3,(H2,11,13);2*8H,4-7H2,1-3H3,(H,12,13);4-7H2,1-3H3;4-7H2,1-3H3,(H,10,12);10H,4-8H2,1-3H3;4-8H2,1-3H3/t;3*10-;;;;;4*8-;;;;/m.100....1010..../s1.
What are the key properties of 2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol?
2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol has a molecular weight of 3037.78 g/mol, XLogP of 23.96, 29 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)azetidin-3-yl]propan-2-ol;1-(2,2-dimethylpropyl)-4,4-difluoropiperidine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;1-(2,2-dimethylpropyl)-4-methylsulfonylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperazine;4-(2,2-dimethylpropyl)piperazin-2-one;2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanol;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-methylpropan-2-ol;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide;(2S)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2-[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]propan-2-ol;2-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol;2-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 157428847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).