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

C12H23N — CID 134901816

IUPAC2-[(Z)-but-1-enyl]-1-propylpiperidine
SMILESCC/C=C\C1CCCCN1CCC
InChIInChI=1S/C12H23N/c1-3-5-8-12-9-6-7-11-13(12)10-4-2/h5,8,12H,3-4,6-7,9-11H2,1-2H3/b8-5-
InChIKeyNIFRYKOSCCZPBV-YVMONPNESA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds4

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

2-[(Z)-but-1-enyl]-1-propylpiperidine (PubChem CID 134901816) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-1-propylpiperidine.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-1-propylpiperidine
PubChem CID134901816
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-[(Z)-but-1-enyl]-1-propylpiperidine
SMILESCC/C=C\C1CCCCN1CCC
InChIInChI=1S/C12H23N/c1-3-5-8-12-9-6-7-11-13(12)10-4-2/h5,8,12H,3-4,6-7,9-11H2,1-2H3/b8-5-
InChIKeyNIFRYKOSCCZPBV-YVMONPNESA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-[(Z)-but-1-enyl]-1-propylpiperidine?
The IUPAC name of 2-[(Z)-but-1-enyl]-1-propylpiperidine (CID 134901816) is 2-[(Z)-but-1-enyl]-1-propylpiperidine.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-1-propylpiperidine?
The canonical SMILES for 2-[(Z)-but-1-enyl]-1-propylpiperidine is CC/C=C\C1CCCCN1CCC.
What is the InChIKey of 2-[(Z)-but-1-enyl]-1-propylpiperidine?
The InChIKey is NIFRYKOSCCZPBV-YVMONPNESA-N. The full InChI is InChI=1S/C12H23N/c1-3-5-8-12-9-6-7-11-13(12)10-4-2/h5,8,12H,3-4,6-7,9-11H2,1-2H3/b8-5-.
What are the key properties of 2-[(Z)-but-1-enyl]-1-propylpiperidine?
2-[(Z)-but-1-enyl]-1-propylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-1-propylpiperidine is sourced from PubChem (CID 134901816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).