4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane

C80H168N8 — CID 159525267

IUPAC4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane
SMILESCC(C)C(C)(C)C1CCNCC1.CC(C)CC1CCCCC1.CC(C)CC1CCN(C)CC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1
InChIInChI=1S/C11H23N.C10H22N2.4C10H21N.C10H20.C9H19N/c1-9(2)11(3,4)10-5-7-12-8-6-10;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)8-10-4-6-11(3)7-5-10;3*1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)8-10-6-4-3-5-7-10;1-9(2)5-8-10-6-3-4-7-10/h9-10,12H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;3*10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3
InChIKeyMCHOEJIAMXRGNV-UHFFFAOYSA-N
MW1242.28 g/mol
LogP19.62
Rot. Bonds21

About 4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane

4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane (PubChem CID 159525267) has the molecular formula C80H168N8 and a molecular weight of 1242.28 g/mol. Its IUPAC name is 4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane.

Molecular Properties

Compound Name4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane
PubChem CID159525267
Molecular FormulaC80H168N8
Molecular Weight1242.28 g/mol
Exact Mass1241.34
IUPAC Name4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane
SMILESCC(C)C(C)(C)C1CCNCC1.CC(C)CC1CCCCC1.CC(C)CC1CCN(C)CC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1
InChIInChI=1S/C11H23N.C10H22N2.4C10H21N.C10H20.C9H19N/c1-9(2)11(3,4)10-5-7-12-8-6-10;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)8-10-4-6-11(3)7-5-10;3*1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)8-10-6-4-3-5-7-10;1-9(2)5-8-10-6-3-4-7-10/h9-10,12H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;3*10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3
InChIKeyMCHOEJIAMXRGNV-UHFFFAOYSA-N
XLogP19.62
TPSA34.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001242.28
LogP ≤ 519.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane?
The IUPAC name of 4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane (CID 159525267) is 4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane.
What is the SMILES notation for 4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane?
The canonical SMILES for 4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane is CC(C)C(C)(C)C1CCNCC1.CC(C)CC1CCCCC1.CC(C)CC1CCN(C)CC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C)CC1.
What is the InChIKey of 4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane?
The InChIKey is MCHOEJIAMXRGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H22N2.4C10H21N.C10H20.C9H19N/c1-9(2)11(3,4)10-5-7-12-8-6-10;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)8-10-4-6-11(3)7-5-10;3*1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)8-10-6-4-3-5-7-10;1-9(2)5-8-10-6-3-4-7-10/h9-10,12H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;3*10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3.
What are the key properties of 4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane?
4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane has a molecular weight of 1242.28 g/mol, XLogP of 19.62, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutan-2-yl)piperidine;tris(1-(3-methylbutyl)piperidine);1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperidine;2-methylpropylcyclohexane is sourced from PubChem (CID 159525267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).