2,2,4,6,6-pentamethyl-1-propylpiperidine

C13H27N — CID 23377309

IUPAC2,2,4,6,6-pentamethyl-1-propylpiperidine
SMILESCCCN1C(C)(C)CC(C)CC1(C)C
InChIInChI=1S/C13H27N/c1-7-8-14-12(3,4)9-11(2)10-13(14,5)6/h11H,7-10H2,1-6H3
InChIKeyKPHSBRJPEYYSEH-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds2

About 2,2,4,6,6-pentamethyl-1-propylpiperidine

2,2,4,6,6-pentamethyl-1-propylpiperidine (PubChem CID 23377309) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,2,4,6,6-pentamethyl-1-propylpiperidine.

Molecular Properties

Compound Name2,2,4,6,6-pentamethyl-1-propylpiperidine
PubChem CID23377309
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,2,4,6,6-pentamethyl-1-propylpiperidine
SMILESCCCN1C(C)(C)CC(C)CC1(C)C
InChIInChI=1S/C13H27N/c1-7-8-14-12(3,4)9-11(2)10-13(14,5)6/h11H,7-10H2,1-6H3
InChIKeyKPHSBRJPEYYSEH-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine
CID 152521875
1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451
1,2,2,4,6,6-hexamethylpiperidine;vanadium
CID 159209902
(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate
CID 69301568
1-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 19905643
1,1-diethyl-3-methylcyclobutane;methane
CID 171820543
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
1-(chloromethyl)-3-methyl-1-pentylcyclobutane
CID 165442795
2,2,4,6,6-pentamethyl-1-[(2,2,4,6,6-pentamethylpiperidin-1-yl)oxymethoxy]piperidine
CID 21348345
1,2,2,4,6,6-hexamethylpiperidine;1,1,3,3,5-pentamethylcyclohexane
CID 159311627
2-(4-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethanol
CID 139677886

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,6-pentamethyl-1-propylpiperidine?
The IUPAC name of 2,2,4,6,6-pentamethyl-1-propylpiperidine (CID 23377309) is 2,2,4,6,6-pentamethyl-1-propylpiperidine.
What is the SMILES notation for 2,2,4,6,6-pentamethyl-1-propylpiperidine?
The canonical SMILES for 2,2,4,6,6-pentamethyl-1-propylpiperidine is CCCN1C(C)(C)CC(C)CC1(C)C.
What is the InChIKey of 2,2,4,6,6-pentamethyl-1-propylpiperidine?
The InChIKey is KPHSBRJPEYYSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-8-14-12(3,4)9-11(2)10-13(14,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 2,2,4,6,6-pentamethyl-1-propylpiperidine?
2,2,4,6,6-pentamethyl-1-propylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,6-pentamethyl-1-propylpiperidine is sourced from PubChem (CID 23377309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).