1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine

C117H233N3O9 — CID 165078755

IUPAC1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine
SMILESCC(C)CC1CCC(N2CCCCC2)CC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCN(C)CC1.CC(C)CC1CCN(C2COC2)CC1.CC(C)CC1COC1.CC(C)CC1COCCO1.CC(C)C[C@@H]1CCCOC1.CC(C)C[C@@H]1COCCO1.CC(C)C[C@H]1COCCO1
InChIInChI=1S/C15H29N.C12H23NO.C10H21N.4C10H20.C9H18O.3C8H16O2.C7H14O/c1-13(2)12-14-6-8-15(9-7-14)16-10-4-3-5-11-16;1-10(2)7-11-3-5-13(6-4-11)12-8-14-9-12;1-9(2)8-10-4-6-11(3)7-5-10;4*1-9(2)8-10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10-7-9;3*1-7(2)5-8-6-9-3-4-10-8;1-6(2)3-7-4-8-5-7/h13-15H,3-12H2,1-2H3;10-12H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;4*9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3/t;;;;;;;9-;2*8-;;/m.......010../s1
InChIKeyUTNLHGMKEJHCRE-ISFHMIGHSA-N
MW1826.16 g/mol
LogP31.53
Rot. Bonds26

About 1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine

1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine (PubChem CID 165078755) has the molecular formula C117H233N3O9 and a molecular weight of 1826.16 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine
PubChem CID165078755
Molecular FormulaC117H233N3O9
Molecular Weight1826.16 g/mol
Exact Mass1824.79
IUPAC Name1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine
SMILESCC(C)CC1CCC(N2CCCCC2)CC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCN(C)CC1.CC(C)CC1CCN(C2COC2)CC1.CC(C)CC1COC1.CC(C)CC1COCCO1.CC(C)C[C@@H]1CCCOC1.CC(C)C[C@@H]1COCCO1.CC(C)C[C@H]1COCCO1
InChIInChI=1S/C15H29N.C12H23NO.C10H21N.4C10H20.C9H18O.3C8H16O2.C7H14O/c1-13(2)12-14-6-8-15(9-7-14)16-10-4-3-5-11-16;1-10(2)7-11-3-5-13(6-4-11)12-8-14-9-12;1-9(2)8-10-4-6-11(3)7-5-10;4*1-9(2)8-10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10-7-9;3*1-7(2)5-8-6-9-3-4-10-8;1-6(2)3-7-4-8-5-7/h13-15H,3-12H2,1-2H3;10-12H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;4*9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3/t;;;;;;;9-;2*8-;;/m.......010../s1
InChIKeyUTNLHGMKEJHCRE-ISFHMIGHSA-N
XLogP31.53
TPSA92.79 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.16
LogP ≤ 531.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine with MolForge

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Related Compounds

1-methyl-4-(2-methylpropyl)azepane
CID 123252209
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
3-methyloxane;1-methylpiperidine
CID 142590694
ethane;1-(oxetan-3-yl)piperidine
CID 170574433
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
4-methyl-1-[(3R)-oxan-3-yl]piperidine
CID 126716470
3-(2-bromopropyl)oxane
CID 164664099
1-(oxan-3-yl)propan-2-amine
CID 63737520
1-(2-methylpropyl)-4-[4-(2-methylpropyl)piperidin-1-yl]piperidine
CID 177321679
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine?
The IUPAC name of 1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine (CID 165078755) is 1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine is CC(C)CC1CCC(N2CCCCC2)CC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCN(C)CC1.CC(C)CC1CCN(C2COC2)CC1.CC(C)CC1COC1.CC(C)CC1COCCO1.CC(C)C[C@@H]1CCCOC1.CC(C)C[C@@H]1COCCO1.CC(C)C[C@H]1COCCO1.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine?
The InChIKey is UTNLHGMKEJHCRE-ISFHMIGHSA-N. The full InChI is InChI=1S/C15H29N.C12H23NO.C10H21N.4C10H20.C9H18O.3C8H16O2.C7H14O/c1-13(2)12-14-6-8-15(9-7-14)16-10-4-3-5-11-16;1-10(2)7-11-3-5-13(6-4-11)12-8-14-9-12;1-9(2)8-10-4-6-11(3)7-5-10;4*1-9(2)8-10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10-7-9;3*1-7(2)5-8-6-9-3-4-10-8;1-6(2)3-7-4-8-5-7/h13-15H,3-12H2,1-2H3;10-12H,3-9H2,1-2H3;9-10H,4-8H2,1-3H3;4*9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3/t;;;;;;;9-;2*8-;;/m.......010../s1.
What are the key properties of 1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine?
1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine has a molecular weight of 1826.16 g/mol, XLogP of 31.53, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)piperidine;tetrakis(2-methylpropylcyclohexane);1-[4-(2-methylpropyl)cyclohexyl]piperidine;2-(2-methylpropyl)-1,4-dioxane;(2S)-2-(2-methylpropyl)-1,4-dioxane;(2R)-2-(2-methylpropyl)-1,4-dioxane;(3S)-3-(2-methylpropyl)oxane;3-(2-methylpropyl)oxetane;4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 165078755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).