4-propan-2-yl-1-prop-2-enylpiperidine

C11H21N — CID 20811791

IUPAC4-propan-2-yl-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(C(C)C)CC1
InChIInChI=1S/C11H21N/c1-4-7-12-8-5-11(6-9-12)10(2)3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyIHNCZGRCYIGMGA-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.54
Rot. Bonds3

About 4-propan-2-yl-1-prop-2-enylpiperidine

4-propan-2-yl-1-prop-2-enylpiperidine (PubChem CID 20811791) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-propan-2-yl-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-prop-2-enylpiperidine
PubChem CID20811791
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-propan-2-yl-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(C(C)C)CC1
InChIInChI=1S/C11H21N/c1-4-7-12-8-5-11(6-9-12)10(2)3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyIHNCZGRCYIGMGA-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-prop-2-enylpiperidine?
The IUPAC name of 4-propan-2-yl-1-prop-2-enylpiperidine (CID 20811791) is 4-propan-2-yl-1-prop-2-enylpiperidine.
What is the SMILES notation for 4-propan-2-yl-1-prop-2-enylpiperidine?
The canonical SMILES for 4-propan-2-yl-1-prop-2-enylpiperidine is C=CCN1CCC(C(C)C)CC1.
What is the InChIKey of 4-propan-2-yl-1-prop-2-enylpiperidine?
The InChIKey is IHNCZGRCYIGMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-7-12-8-5-11(6-9-12)10(2)3/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of 4-propan-2-yl-1-prop-2-enylpiperidine?
4-propan-2-yl-1-prop-2-enylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-prop-2-enylpiperidine is sourced from PubChem (CID 20811791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).