4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine

C17H35N — CID 156551220

IUPAC4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine
SMILESCC(C)(C)CCCN1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-15(2,3)9-8-12-18-13-10-17(7,11-14-18)16(4,5)6/h8-14H2,1-7H3
InChIKeyMLGZQUISIDCCNE-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.96
Rot. Bonds3

About 4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine

4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine (PubChem CID 156551220) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine
PubChem CID156551220
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine
SMILESCC(C)(C)CCCN1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-15(2,3)9-8-12-18-13-10-17(7,11-14-18)16(4,5)6/h8-14H2,1-7H3
InChIKeyMLGZQUISIDCCNE-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-4-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 122664538
4-tert-butyl-4-methyl-1-(5-methylsulfanylhexyl)piperidine
CID 170018540
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile
CID 114284241
1-(11,11-dimethyldodecyl)piperidine
CID 118887407
1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488975
1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 126539994
1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
CID 176826648
5-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanethioamide
CID 81098207
6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295886
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
5-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254542

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine?
The IUPAC name of 4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine (CID 156551220) is 4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine?
The canonical SMILES for 4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine is CC(C)(C)CCCN1CCC(C)(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine?
The InChIKey is MLGZQUISIDCCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-15(2,3)9-8-12-18-13-10-17(7,11-14-18)16(4,5)6/h8-14H2,1-7H3.
What are the key properties of 4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine?
4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine has a molecular weight of 253.47 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine is sourced from PubChem (CID 156551220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).