1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)

C165H347N19 — CID 158195592

IUPAC1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)
SMILESCC(C)N1C(C)CCC1C.CC(C)N1CC2CCC1C2.CC(C)N1CCC1.CC(C)N1CCCC1C.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCC[C@H]1C.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H]1C.CC1CCCC(C)N1C(C)(C)C.CC1CCCN(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N.C9H17N.11C9H19N.5C8H17N.C6H13N/c1-9-7-6-8-10(2)12(9)11(3,4)5;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8(3)5-6-9(10)4;3*1-8(2)10-6-4-9(3)5-7-10;6*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;3*1-7(2)9-6-4-5-8(9)3;2*1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-7/h9-10H,6-8H2,1-5H3;7-9H,3-6H2,1-2H3;7-9H,5-6H2,1-4H3;10*8-9H,4-7H2,1-3H3;3*7-8H,4-6H2,1-3H3;2*8H,3-7H2,1-2H3;6H,3-5H2,1-2H3/t;;;;;;4*9-;;;9-;2*8-;;;;/m......1100..110..../s1
InChIKeyGAHMHGMUSJXSMQ-ROWYWXGJSA-N
MW2597.72 g/mol
LogP39.10
Rot. Bonds18

About 1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)

1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine) (PubChem CID 158195592) has the molecular formula C165H347N19 and a molecular weight of 2597.72 g/mol. Its IUPAC name is 1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine).

Molecular Properties

Compound Name1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)
PubChem CID158195592
Molecular FormulaC165H347N19
Molecular Weight2597.72 g/mol
Exact Mass2595.77
IUPAC Name1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)
SMILESCC(C)N1C(C)CCC1C.CC(C)N1CC2CCC1C2.CC(C)N1CCC1.CC(C)N1CCCC1C.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCC[C@H]1C.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H]1C.CC1CCCC(C)N1C(C)(C)C.CC1CCCN(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N.C9H17N.11C9H19N.5C8H17N.C6H13N/c1-9-7-6-8-10(2)12(9)11(3,4)5;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8(3)5-6-9(10)4;3*1-8(2)10-6-4-9(3)5-7-10;6*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;3*1-7(2)9-6-4-5-8(9)3;2*1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-7/h9-10H,6-8H2,1-5H3;7-9H,3-6H2,1-2H3;7-9H,5-6H2,1-4H3;10*8-9H,4-7H2,1-3H3;3*7-8H,4-6H2,1-3H3;2*8H,3-7H2,1-2H3;6H,3-5H2,1-2H3/t;;;;;;4*9-;;;9-;2*8-;;;;/m......1100..110..../s1
InChIKeyGAHMHGMUSJXSMQ-ROWYWXGJSA-N
XLogP39.10
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms184
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002597.72
LogP ≤ 539.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)?
The IUPAC name of 1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine) (CID 158195592) is 1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine).
What is the SMILES notation for 1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)?
The canonical SMILES for 1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine) is CC(C)N1C(C)CCC1C.CC(C)N1CC2CCC1C2.CC(C)N1CCC1.CC(C)N1CCCC1C.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCCC[C@H]1C.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H]1C.CC1CCCC(C)N1C(C)(C)C.CC1CCCN(C(C)C)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.
What is the InChIKey of 1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)?
The InChIKey is GAHMHGMUSJXSMQ-ROWYWXGJSA-N. The full InChI is InChI=1S/C11H23N.C9H17N.11C9H19N.5C8H17N.C6H13N/c1-9-7-6-8-10(2)12(9)11(3,4)5;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8(3)5-6-9(10)4;3*1-8(2)10-6-4-9(3)5-7-10;6*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;3*1-7(2)9-6-4-5-8(9)3;2*1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-7/h9-10H,6-8H2,1-5H3;7-9H,3-6H2,1-2H3;7-9H,5-6H2,1-4H3;10*8-9H,4-7H2,1-3H3;3*7-8H,4-6H2,1-3H3;2*8H,3-7H2,1-2H3;6H,3-5H2,1-2H3/t;;;;;;4*9-;;;9-;2*8-;;;;/m......1100..110..../s1.
What are the key properties of 1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine)?
1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine) has a molecular weight of 2597.72 g/mol, XLogP of 39.10, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,6-dimethylpiperidine;2,5-dimethyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis(3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine) is sourced from PubChem (CID 158195592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).