2-(2-methylprop-1-enyl)-1-propylpiperidine

C12H23N — CID 134981020

IUPAC2-(2-methylprop-1-enyl)-1-propylpiperidine
SMILESCCCN1CCCCC1C=C(C)C
InChIInChI=1S/C12H23N/c1-4-8-13-9-6-5-7-12(13)10-11(2)3/h10,12H,4-9H2,1-3H3
InChIKeyRTHWHFLCBZNWMN-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds3

About 2-(2-methylprop-1-enyl)-1-propylpiperidine

2-(2-methylprop-1-enyl)-1-propylpiperidine (PubChem CID 134981020) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-1-propylpiperidine.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-1-propylpiperidine
PubChem CID134981020
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-(2-methylprop-1-enyl)-1-propylpiperidine
SMILESCCCN1CCCCC1C=C(C)C
InChIInChI=1S/C12H23N/c1-4-8-13-9-6-5-7-12(13)10-11(2)3/h10,12H,4-9H2,1-3H3
InChIKeyRTHWHFLCBZNWMN-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.22
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 2-(2-methylprop-1-enyl)-1-propylpiperidine?
The IUPAC name of 2-(2-methylprop-1-enyl)-1-propylpiperidine (CID 134981020) is 2-(2-methylprop-1-enyl)-1-propylpiperidine.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-1-propylpiperidine?
The canonical SMILES for 2-(2-methylprop-1-enyl)-1-propylpiperidine is CCCN1CCCCC1C=C(C)C.
What is the InChIKey of 2-(2-methylprop-1-enyl)-1-propylpiperidine?
The InChIKey is RTHWHFLCBZNWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-8-13-9-6-5-7-12(13)10-11(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-(2-methylprop-1-enyl)-1-propylpiperidine?
2-(2-methylprop-1-enyl)-1-propylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-1-propylpiperidine is sourced from PubChem (CID 134981020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).