4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane

C86H172N6O — CID 167572817

IUPAC4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane
SMILESCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCC2(CCC2)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCN(C2CCC2)CC1.CCN1CCC(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H25N.C13H24.C11H21NO.C11H23N.C10H21N.C10H20.2C9H19N/c1-13(2,3)11-7-9-14(10-8-11)12-5-4-6-12;1-12(2,3)11-5-9-13(10-6-11)7-4-8-13;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-5-4-6-10-7-8/h11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10H,5-8H2,1-4H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,5-7H2,1-4H3;8,10H,4-7H2,1-3H3
InChIKeyGDFVQLAFQQTTLJ-UHFFFAOYSA-N
MW1306.36 g/mol
LogP22.75
Rot. Bonds2

About 4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane

4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane (PubChem CID 167572817) has the molecular formula C86H172N6O and a molecular weight of 1306.36 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane.

Molecular Properties

Compound Name4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane
PubChem CID167572817
Molecular FormulaC86H172N6O
Molecular Weight1306.36 g/mol
Exact Mass1305.36
IUPAC Name4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane
SMILESCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCC2(CCC2)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCN(C2CCC2)CC1.CCN1CCC(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H25N.C13H24.C11H21NO.C11H23N.C10H21N.C10H20.2C9H19N/c1-13(2,3)11-7-9-14(10-8-11)12-5-4-6-12;1-12(2,3)11-5-9-13(10-6-11)7-4-8-13;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-5-4-6-10-7-8/h11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10H,5-8H2,1-4H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,5-7H2,1-4H3;8,10H,4-7H2,1-3H3
InChIKeyGDFVQLAFQQTTLJ-UHFFFAOYSA-N
XLogP22.75
TPSA45.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001306.36
LogP ≤ 522.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butyl-1-methylpiperidine;1-cyclohexyl-4-(2,2-dimethylpropyl)piperidine;1-cyclopropyl-4-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)piperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 160684832

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane?
The IUPAC name of 4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane (CID 167572817) is 4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane.
What is the SMILES notation for 4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane?
The canonical SMILES for 4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane is CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCC2(CCC2)CC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCN(C2CCC2)CC1.CCN1CCC(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane?
The InChIKey is GDFVQLAFQQTTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C13H24.C11H21NO.C11H23N.C10H21N.C10H20.2C9H19N/c1-13(2,3)11-7-9-14(10-8-11)12-5-4-6-12;1-12(2,3)11-5-9-13(10-6-11)7-4-8-13;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-5-4-6-10-7-8/h11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10H,5-8H2,1-4H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,5-7H2,1-4H3;8,10H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane?
4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane has a molecular weight of 1306.36 g/mol, XLogP of 22.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclobutylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine;3-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylspiro[3.5]nonane is sourced from PubChem (CID 167572817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).