1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine

C94H192N8O5 — CID 158086770

IUPAC1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine
SMILESCC(=O)N1CCC(CCC(C)(C)C)CC1.CC(=O)N1CCC(OC(C)(C)C)CC1.CC(C)(C)N1CCCCC1.CCCN1CCC(CC(C)C)CC1.CCCN1CCC(CCC(C)(C)C)CC1.CCCN1CCC(CCC(C)(C)C)CC1.CCCN1CCC(OC(C)(C)C)CC1.CCCN1CCC(OC)CC1
InChIInChI=1S/2C14H29N.C13H25NO.C12H25NO.C12H25N.C11H21NO2.C9H19NO.C9H19N/c2*1-5-10-15-11-7-13(8-12-15)6-9-14(2,3)4;1-11(15)14-9-6-12(7-10-14)5-8-13(2,3)4;1-5-8-13-9-6-11(7-10-13)14-12(2,3)4;1-4-7-13-8-5-12(6-9-13)10-11(2)3;1-9(13)12-7-5-10(6-8-12)14-11(2,3)4;1-3-6-10-7-4-9(11-2)5-8-10;1-9(2,3)10-7-5-4-6-8-10/h2*13H,5-12H2,1-4H3;12H,5-10H2,1-4H3;11H,5-10H2,1-4H3;11-12H,4-10H2,1-3H3;10H,5-8H2,1-4H3;9H,3-8H2,1-2H3;4-8H2,1-3H3
InChIKeyFNPKHHKZOATWJG-UHFFFAOYSA-N
MW1514.62 g/mol
LogP22.36
Rot. Bonds21

About 1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine

1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine (PubChem CID 158086770) has the molecular formula C94H192N8O5 and a molecular weight of 1514.62 g/mol. Its IUPAC name is 1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine.

Molecular Properties

Compound Name1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine
PubChem CID158086770
Molecular FormulaC94H192N8O5
Molecular Weight1514.62 g/mol
Exact Mass1513.50
IUPAC Name1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine
SMILESCC(=O)N1CCC(CCC(C)(C)C)CC1.CC(=O)N1CCC(OC(C)(C)C)CC1.CC(C)(C)N1CCCCC1.CCCN1CCC(CC(C)C)CC1.CCCN1CCC(CCC(C)(C)C)CC1.CCCN1CCC(CCC(C)(C)C)CC1.CCCN1CCC(OC(C)(C)C)CC1.CCCN1CCC(OC)CC1
InChIInChI=1S/2C14H29N.C13H25NO.C12H25NO.C12H25N.C11H21NO2.C9H19NO.C9H19N/c2*1-5-10-15-11-7-13(8-12-15)6-9-14(2,3)4;1-11(15)14-9-6-12(7-10-14)5-8-13(2,3)4;1-5-8-13-9-6-11(7-10-13)14-12(2,3)4;1-4-7-13-8-5-12(6-9-13)10-11(2)3;1-9(13)12-7-5-10(6-8-12)14-11(2,3)4;1-3-6-10-7-4-9(11-2)5-8-10;1-9(2,3)10-7-5-4-6-8-10/h2*13H,5-12H2,1-4H3;12H,5-10H2,1-4H3;11H,5-10H2,1-4H3;11-12H,4-10H2,1-3H3;10H,5-8H2,1-4H3;9H,3-8H2,1-2H3;4-8H2,1-3H3
InChIKeyFNPKHHKZOATWJG-UHFFFAOYSA-N
XLogP22.36
TPSA87.75 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.62
LogP ≤ 522.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-(3,3-Dimethylbutyl)-4-methylpiperazine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;4-(3,3-dimethylbutyl)-1-propylpiperidine;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine
CID 157944595
1-Tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;bis(1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine);1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 157973161
4-Tert-butyl-1-(3,3-dimethylbutyl)piperazin-2-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 158238177
Tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 158453796
1-(3,3-Dimethylbutyl)-4-methylpiperazine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;4-methoxy-1-propylpiperidine;bis(4-(3-methylbutyl)-1-propylpiperidine);1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine
CID 159278371
Tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 159712254
1-Tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;4-(3,3-dimethylbutyl)-1-propylpiperidine;4-methoxy-1-propylpiperidine;1-(3-methylbutyl)-4-propylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;bis(4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine)
CID 160307758
1-(3,3-Dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)-1-propylpiperidine;4-methoxy-1-propylpiperidine;1-[4-(3-methylbutyl)piperidin-1-yl]ethanone;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;bis(4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine)
CID 160466785
Tert-butyl 4-methylpiperidine-1-carboxylate;tris(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 161001117
1-Tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxypiperidine;1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine;1-[4-(4-tert-butylpiperazine-1-carbonyl)piperidin-1-yl]-3,3-dimethylbutan-1-one;(4-tert-butylpiperazin-1-yl)-[1-(3,3-dimethylbutyl)piperidin-4-yl]methanone;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(3,3-dimethylbutyl)piperidine-2,6-dione;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(3,3-dimethylbutyl)piperidin-2-one
CID 162063571
1-[4-[1-(3,3-Dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 167632644

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine?
The IUPAC name of 1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine (CID 158086770) is 1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine.
What is the SMILES notation for 1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine?
The canonical SMILES for 1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine is CC(=O)N1CCC(CCC(C)(C)C)CC1.CC(=O)N1CCC(OC(C)(C)C)CC1.CC(C)(C)N1CCCCC1.CCCN1CCC(CC(C)C)CC1.CCCN1CCC(CCC(C)(C)C)CC1.CCCN1CCC(CCC(C)(C)C)CC1.CCCN1CCC(OC(C)(C)C)CC1.CCCN1CCC(OC)CC1.
What is the InChIKey of 1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine?
The InChIKey is FNPKHHKZOATWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H29N.C13H25NO.C12H25NO.C12H25N.C11H21NO2.C9H19NO.C9H19N/c2*1-5-10-15-11-7-13(8-12-15)6-9-14(2,3)4;1-11(15)14-9-6-12(7-10-14)5-8-13(2,3)4;1-5-8-13-9-6-11(7-10-13)14-12(2,3)4;1-4-7-13-8-5-12(6-9-13)10-11(2)3;1-9(13)12-7-5-10(6-8-12)14-11(2,3)4;1-3-6-10-7-4-9(11-2)5-8-10;1-9(2,3)10-7-5-4-6-8-10/h2*13H,5-12H2,1-4H3;12H,5-10H2,1-4H3;11H,5-10H2,1-4H3;11-12H,4-10H2,1-3H3;10H,5-8H2,1-4H3;9H,3-8H2,1-2H3;4-8H2,1-3H3.
What are the key properties of 1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine?
1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine has a molecular weight of 1514.62 g/mol, XLogP of 22.36, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine;1-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanone;bis(4-(3,3-dimethylbutyl)-1-propylpiperidine);4-methoxy-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;4-[(2-methylpropan-2-yl)oxy]-1-propylpiperidine;4-(2-methylpropyl)-1-propylpiperidine is sourced from PubChem (CID 158086770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).