1-tert-butyl-2-propan-2-ylidenepiperidine

C12H23N — CID 155014498

IUPAC1-tert-butyl-2-propan-2-ylidenepiperidine
SMILESCC(C)=C1CCCCN1C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(2)11-8-6-7-9-13(11)12(3,4)5/h6-9H2,1-5H3
InChIKeyKMVUBYSKTNDQHL-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.56
Rot. Bonds

About 1-tert-butyl-2-propan-2-ylidenepiperidine

1-tert-butyl-2-propan-2-ylidenepiperidine (PubChem CID 155014498) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-tert-butyl-2-propan-2-ylidenepiperidine.

Molecular Properties

Compound Name1-tert-butyl-2-propan-2-ylidenepiperidine
PubChem CID155014498
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-tert-butyl-2-propan-2-ylidenepiperidine
SMILESCC(C)=C1CCCCN1C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(2)11-8-6-7-9-13(11)12(3,4)5/h6-9H2,1-5H3
InChIKeyKMVUBYSKTNDQHL-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-propan-2-ylidenepiperidine?
The IUPAC name of 1-tert-butyl-2-propan-2-ylidenepiperidine (CID 155014498) is 1-tert-butyl-2-propan-2-ylidenepiperidine.
What is the SMILES notation for 1-tert-butyl-2-propan-2-ylidenepiperidine?
The canonical SMILES for 1-tert-butyl-2-propan-2-ylidenepiperidine is CC(C)=C1CCCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-propan-2-ylidenepiperidine?
The InChIKey is KMVUBYSKTNDQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)11-8-6-7-9-13(11)12(3,4)5/h6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-2-propan-2-ylidenepiperidine?
1-tert-butyl-2-propan-2-ylidenepiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-propan-2-ylidenepiperidine is sourced from PubChem (CID 155014498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).