2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine

C13H25N — CID 134981076

IUPAC2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine
SMILESCCCN1CCCCC1/C=C(/C)CC
InChIInChI=1S/C13H25N/c1-4-9-14-10-7-6-8-13(14)11-12(3)5-2/h11,13H,4-10H2,1-3H3/b12-11-
InChIKeyIGRZANRBOWJYLB-QXMHVHEDSA-N
MW195.35 g/mol
LogP3.61
Rot. Bonds4

About 2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine

2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine (PubChem CID 134981076) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine.

Molecular Properties

Compound Name2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine
PubChem CID134981076
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine
SMILESCCCN1CCCCC1/C=C(/C)CC
InChIInChI=1S/C13H25N/c1-4-9-14-10-7-6-8-13(14)11-12(3)5-2/h11,13H,4-10H2,1-3H3/b12-11-
InChIKeyIGRZANRBOWJYLB-QXMHVHEDSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.61
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-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine?
The IUPAC name of 2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine (CID 134981076) is 2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine.
What is the SMILES notation for 2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine?
The canonical SMILES for 2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine is CCCN1CCCCC1/C=C(/C)CC.
What is the InChIKey of 2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine?
The InChIKey is IGRZANRBOWJYLB-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H25N/c1-4-9-14-10-7-6-8-13(14)11-12(3)5-2/h11,13H,4-10H2,1-3H3/b12-11-.
What are the key properties of 2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine?
2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine is sourced from PubChem (CID 134981076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).