2-methylidene-6-propan-2-ylpiperidine

C9H17N — CID 59046113

IUPAC2-methylidene-6-propan-2-ylpiperidine
SMILESC=C1CCCC(C(C)C)N1
InChIInChI=1S/C9H17N/c1-7(2)9-6-4-5-8(3)10-9/h7,9-10H,3-6H2,1-2H3
InChIKeyIOGSEQHVOINIBJ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.30
Rot. Bonds1

About 2-methylidene-6-propan-2-ylpiperidine

2-methylidene-6-propan-2-ylpiperidine (PubChem CID 59046113) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methylidene-6-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-methylidene-6-propan-2-ylpiperidine
PubChem CID59046113
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methylidene-6-propan-2-ylpiperidine
SMILESC=C1CCCC(C(C)C)N1
InChIInChI=1S/C9H17N/c1-7(2)9-6-4-5-8(3)10-9/h7,9-10H,3-6H2,1-2H3
InChIKeyIOGSEQHVOINIBJ-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-propan-2-ylpiperidine?
The IUPAC name of 2-methylidene-6-propan-2-ylpiperidine (CID 59046113) is 2-methylidene-6-propan-2-ylpiperidine.
What is the SMILES notation for 2-methylidene-6-propan-2-ylpiperidine?
The canonical SMILES for 2-methylidene-6-propan-2-ylpiperidine is C=C1CCCC(C(C)C)N1.
What is the InChIKey of 2-methylidene-6-propan-2-ylpiperidine?
The InChIKey is IOGSEQHVOINIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)9-6-4-5-8(3)10-9/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 2-methylidene-6-propan-2-ylpiperidine?
2-methylidene-6-propan-2-ylpiperidine has a molecular weight of 139.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-propan-2-ylpiperidine is sourced from PubChem (CID 59046113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).