2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine

C21H35N — CID 166754054

IUPAC2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine
SMILESCC1CCCC(C(C)CCC(C)c2cccc(C(C)C)c2)N1
InChIInChI=1S/C21H35N/c1-15(2)19-9-7-10-20(14-19)16(3)12-13-17(4)21-11-6-8-18(5)22-21/h7,9-10,14-18,21-22H,6,8,11-13H2,1-5H3
InChIKeyMTIHTXMGYRRRJB-UHFFFAOYSA-N
MW301.52 g/mol
LogP5.86
Rot. Bonds6

About 2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine

2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine (PubChem CID 166754054) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is 2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine.

Molecular Properties

Compound Name2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine
PubChem CID166754054
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine
SMILESCC1CCCC(C(C)CCC(C)c2cccc(C(C)C)c2)N1
InChIInChI=1S/C21H35N/c1-15(2)19-9-7-10-20(14-19)16(3)12-13-17(4)21-11-6-8-18(5)22-21/h7,9-10,14-18,21-22H,6,8,11-13H2,1-5H3
InChIKeyMTIHTXMGYRRRJB-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene
CID 162772635
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CID 171211996
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
3-(3-cyclobutyloxyphenyl)butan-1-amine
CID 117313284
1,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclopropane
CID 158171607
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
dichloro-[2-(3-propan-2-ylphenyl)propyl]silane
CID 152763772
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
CID 171231604
1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685542
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine?
The IUPAC name of 2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine (CID 166754054) is 2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine.
What is the SMILES notation for 2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine?
The canonical SMILES for 2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine is CC1CCCC(C(C)CCC(C)c2cccc(C(C)C)c2)N1.
What is the InChIKey of 2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine?
The InChIKey is MTIHTXMGYRRRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N/c1-15(2)19-9-7-10-20(14-19)16(3)12-13-17(4)21-11-6-8-18(5)22-21/h7,9-10,14-18,21-22H,6,8,11-13H2,1-5H3.
What are the key properties of 2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine?
2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine has a molecular weight of 301.52 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine is sourced from PubChem (CID 166754054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).