1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine

C13H25N — CID 89397686

IUPAC1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C13H25N/c1-10(2)11-8-12(3,4)14(7)13(5,6)9-11/h11H,1,8-9H2,2-7H3
InChIKeyAZMPFINCOIVQPK-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.46
Rot. Bonds1

About 1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine

1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine (PubChem CID 89397686) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine
PubChem CID89397686
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C13H25N/c1-10(2)11-8-12(3,4)14(7)13(5,6)9-11/h11H,1,8-9H2,2-7H3
InChIKeyAZMPFINCOIVQPK-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine (CID 89397686) is 1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine is C=C(C)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine?
The InChIKey is AZMPFINCOIVQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)11-8-12(3,4)14(7)13(5,6)9-11/h11H,1,8-9H2,2-7H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine?
1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 89397686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).