2-methylidene-1,4-di(propan-2-yl)piperidine

C12H23N — CID 58235385

IUPAC2-methylidene-1,4-di(propan-2-yl)piperidine
SMILESC=C1CC(C(C)C)CCN1C(C)C
InChIInChI=1S/C12H23N/c1-9(2)12-6-7-13(10(3)4)11(5)8-12/h9-10,12H,5-8H2,1-4H3
InChIKeyZXQAWPUPAQNSMX-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.28
Rot. Bonds2

About 2-methylidene-1,4-di(propan-2-yl)piperidine

2-methylidene-1,4-di(propan-2-yl)piperidine (PubChem CID 58235385) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-methylidene-1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name2-methylidene-1,4-di(propan-2-yl)piperidine
PubChem CID58235385
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-methylidene-1,4-di(propan-2-yl)piperidine
SMILESC=C1CC(C(C)C)CCN1C(C)C
InChIInChI=1S/C12H23N/c1-9(2)12-6-7-13(10(3)4)11(5)8-12/h9-10,12H,5-8H2,1-4H3
InChIKeyZXQAWPUPAQNSMX-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,4-di(propan-2-yl)piperidine?
The IUPAC name of 2-methylidene-1,4-di(propan-2-yl)piperidine (CID 58235385) is 2-methylidene-1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 2-methylidene-1,4-di(propan-2-yl)piperidine?
The canonical SMILES for 2-methylidene-1,4-di(propan-2-yl)piperidine is C=C1CC(C(C)C)CCN1C(C)C.
What is the InChIKey of 2-methylidene-1,4-di(propan-2-yl)piperidine?
The InChIKey is ZXQAWPUPAQNSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)12-6-7-13(10(3)4)11(5)8-12/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-methylidene-1,4-di(propan-2-yl)piperidine?
2-methylidene-1,4-di(propan-2-yl)piperidine has a molecular weight of 181.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 58235385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).