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

C82H168N8O5 — CID 159278371

IUPAC1-(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
SMILESCC(=O)N1CCC(CCC(C)(C)C)CC1.CC(=O)N1CCC(OC(C)(C)C)CC1.CCCN1CCC(CCC(C)C)CC1.CCCN1CCC(CCC(C)C)CC1.CCCN1CCC(OC(C)(C)C)CC1.CCCN1CCC(OC)CC1.CN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C13H25NO.2C13H27N.C12H25NO.C11H24N2.C11H21NO2.C9H19NO/c1-11(15)14-9-6-12(7-10-14)5-8-13(2,3)4;2*1-4-9-14-10-7-13(8-11-14)6-5-12(2)3;1-5-8-13-9-6-11(7-10-13)14-12(2,3)4;1-11(2,3)5-6-13-9-7-12(4)8-10-13;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/h12H,5-10H2,1-4H3;2*12-13H,4-11H2,1-3H3;11H,5-10H2,1-4H3;5-10H2,1-4H3;10H,5-8H2,1-4H3;9H,3-8H2,1-2H3
InChIKeyKYPGJNCYQBHXFK-UHFFFAOYSA-N
MW1346.30 g/mol
LogP17.83
Rot. Bonds21

About 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

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 (PubChem CID 159278371) has the molecular formula C82H168N8O5 and a molecular weight of 1346.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159278371
Molecular FormulaC82H168N8O5
Molecular Weight1346.30 g/mol
Exact Mass1345.31
IUPAC Name1-(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
SMILESCC(=O)N1CCC(CCC(C)(C)C)CC1.CC(=O)N1CCC(OC(C)(C)C)CC1.CCCN1CCC(CCC(C)C)CC1.CCCN1CCC(CCC(C)C)CC1.CCCN1CCC(OC(C)(C)C)CC1.CCCN1CCC(OC)CC1.CN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C13H25NO.2C13H27N.C12H25NO.C11H24N2.C11H21NO2.C9H19NO/c1-11(15)14-9-6-12(7-10-14)5-8-13(2,3)4;2*1-4-9-14-10-7-13(8-11-14)6-5-12(2)3;1-5-8-13-9-6-11(7-10-13)14-12(2,3)4;1-11(2,3)5-6-13-9-7-12(4)8-10-13;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/h12H,5-10H2,1-4H3;2*12-13H,4-11H2,1-3H3;11H,5-10H2,1-4H3;5-10H2,1-4H3;10H,5-8H2,1-4H3;9H,3-8H2,1-2H3
InChIKeyKYPGJNCYQBHXFK-UHFFFAOYSA-N
XLogP17.83
TPSA87.75 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.30
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC(CCC(C)(C)C)CC1.CC(=O)N1CCC(OC(C)(C)C)CC1.CCCN1CCC(CCC(C)C)CC1.CCCN1CCC(CCC(C)C)CC1.CCCN1CCC(OC(C)(C)C)CC1.CCCN1CCC(OC)CC1.CN1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is KYPGJNCYQBHXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.2C13H27N.C12H25NO.C11H24N2.C11H21NO2.C9H19NO/c1-11(15)14-9-6-12(7-10-14)5-8-13(2,3)4;2*1-4-9-14-10-7-13(8-11-14)6-5-12(2)3;1-5-8-13-9-6-11(7-10-13)14-12(2,3)4;1-11(2,3)5-6-13-9-7-12(4)8-10-13;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/h12H,5-10H2,1-4H3;2*12-13H,4-11H2,1-3H3;11H,5-10H2,1-4H3;5-10H2,1-4H3;10H,5-8H2,1-4H3;9H,3-8H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1346.30 g/mol, XLogP of 17.83, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159278371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).