2-methylidene-1-propan-2-ylpiperidine

C9H17N — CID 58459891

IUPAC2-methylidene-1-propan-2-ylpiperidine
SMILESC=C1CCCCN1C(C)C
InChIInChI=1S/C9H17N/c1-8(2)10-7-5-4-6-9(10)3/h8H,3-7H2,1-2H3
InChIKeyNGQYOMGHEBWHOL-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.39
Rot. Bonds1

About 2-methylidene-1-propan-2-ylpiperidine

2-methylidene-1-propan-2-ylpiperidine (PubChem CID 58459891) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methylidene-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-methylidene-1-propan-2-ylpiperidine
PubChem CID58459891
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methylidene-1-propan-2-ylpiperidine
SMILESC=C1CCCCN1C(C)C
InChIInChI=1S/C9H17N/c1-8(2)10-7-5-4-6-9(10)3/h8H,3-7H2,1-2H3
InChIKeyNGQYOMGHEBWHOL-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-propan-2-ylpiperidine?
The IUPAC name of 2-methylidene-1-propan-2-ylpiperidine (CID 58459891) is 2-methylidene-1-propan-2-ylpiperidine.
What is the SMILES notation for 2-methylidene-1-propan-2-ylpiperidine?
The canonical SMILES for 2-methylidene-1-propan-2-ylpiperidine is C=C1CCCCN1C(C)C.
What is the InChIKey of 2-methylidene-1-propan-2-ylpiperidine?
The InChIKey is NGQYOMGHEBWHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)10-7-5-4-6-9(10)3/h8H,3-7H2,1-2H3.
What are the key properties of 2-methylidene-1-propan-2-ylpiperidine?
2-methylidene-1-propan-2-ylpiperidine has a molecular weight of 139.24 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-propan-2-ylpiperidine is sourced from PubChem (CID 58459891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).