4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine

C21H35N — CID 122533659

IUPAC4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCCC(C)c1ccc(CC2CC(C)(C)N(C)C(C)(C)C2)cc1
InChIInChI=1S/C21H35N/c1-8-16(2)19-11-9-17(10-12-19)13-18-14-20(3,4)22(7)21(5,6)15-18/h9-12,16,18H,8,13-15H2,1-7H3
InChIKeyZDISJRZMAUJTNK-UHFFFAOYSA-N
MW301.52 g/mol
LogP5.64
Rot. Bonds4

About 4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine

4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine (PubChem CID 122533659) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is 4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine
PubChem CID122533659
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCCC(C)c1ccc(CC2CC(C)(C)N(C)C(C)(C)C2)cc1
InChIInChI=1S/C21H35N/c1-8-16(2)19-11-9-17(10-12-19)13-18-14-20(3,4)22(7)21(5,6)15-18/h9-12,16,18H,8,13-15H2,1-7H3
InChIKeyZDISJRZMAUJTNK-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926323
2-(4-butan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841976
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane
CID 176937704
1-butan-2-yl-4-(3-chloropropyl)benzene
CID 116926644
4-[2-(4-butan-2-ylphenyl)ethyl]piperidine
CID 116925672
1-butan-2-yl-4-ethylbenzene;carbanide;zirconium(3+)
CID 58665646
[1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol
CID 116842627
4-[[3-(4-butan-2-ylphenoxy)cyclohexyl]methyl]benzenesulfonate
CID 123185460
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
1-[(4-butan-2-ylphenoxy)-ethoxymethyl]adamantane
CID 89398620

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine?
The IUPAC name of 4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine (CID 122533659) is 4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine.
What is the SMILES notation for 4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine?
The canonical SMILES for 4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine is CCC(C)c1ccc(CC2CC(C)(C)N(C)C(C)(C)C2)cc1.
What is the InChIKey of 4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine?
The InChIKey is ZDISJRZMAUJTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N/c1-8-16(2)19-11-9-17(10-12-19)13-18-14-20(3,4)22(7)21(5,6)15-18/h9-12,16,18H,8,13-15H2,1-7H3.
What are the key properties of 4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine?
4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine has a molecular weight of 301.52 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine is sourced from PubChem (CID 122533659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).