2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine

C13H25N — CID 141008654

IUPAC2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine
SMILESCC=CN1C(C)(C)CCC(C)C1(C)C
InChIInChI=1S/C13H25N/c1-7-10-14-12(3,4)9-8-11(2)13(14,5)6/h7,10-11H,8-9H2,1-6H3
InChIKeyDJAYUFPTLRIZJK-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.81
Rot. Bonds1

About 2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine

2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine (PubChem CID 141008654) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine.

Molecular Properties

Compound Name2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine
PubChem CID141008654
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine
SMILESCC=CN1C(C)(C)CCC(C)C1(C)C
InChIInChI=1S/C13H25N/c1-7-10-14-12(3,4)9-8-11(2)13(14,5)6/h7,10-11H,8-9H2,1-6H3
InChIKeyDJAYUFPTLRIZJK-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine?
The IUPAC name of 2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine (CID 141008654) is 2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine.
What is the SMILES notation for 2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine?
The canonical SMILES for 2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine is CC=CN1C(C)(C)CCC(C)C1(C)C.
What is the InChIKey of 2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine?
The InChIKey is DJAYUFPTLRIZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-7-10-14-12(3,4)9-8-11(2)13(14,5)6/h7,10-11H,8-9H2,1-6H3.
What are the key properties of 2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine?
2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,6,6-pentamethyl-1-prop-1-enylpiperidine is sourced from PubChem (CID 141008654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).