1-[(E)-but-1-enyl]piperidine

C9H17N — CID 5357943

IUPAC1-[(E)-but-1-enyl]piperidine
SMILESCC/C=C/N1CCCCC1
InChIInChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h3,7H,2,4-6,8-9H2,1H3/b7-3+
InChIKeyYBTBLUIZFVXVOK-XVNBXDOJSA-N
MW139.24 g/mol
LogP2.40
Rot. Bonds2

About 1-[(E)-but-1-enyl]piperidine

1-[(E)-but-1-enyl]piperidine (PubChem CID 5357943) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]piperidine
PubChem CID5357943
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-[(E)-but-1-enyl]piperidine
SMILESCC/C=C/N1CCCCC1
InChIInChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h3,7H,2,4-6,8-9H2,1H3/b7-3+
InChIKeyYBTBLUIZFVXVOK-XVNBXDOJSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]piperidine?
The IUPAC name of 1-[(E)-but-1-enyl]piperidine (CID 5357943) is 1-[(E)-but-1-enyl]piperidine.
What is the SMILES notation for 1-[(E)-but-1-enyl]piperidine?
The canonical SMILES for 1-[(E)-but-1-enyl]piperidine is CC/C=C/N1CCCCC1.
What is the InChIKey of 1-[(E)-but-1-enyl]piperidine?
The InChIKey is YBTBLUIZFVXVOK-XVNBXDOJSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h3,7H,2,4-6,8-9H2,1H3/b7-3+.
What are the key properties of 1-[(E)-but-1-enyl]piperidine?
1-[(E)-but-1-enyl]piperidine has a molecular weight of 139.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]piperidine is sourced from PubChem (CID 5357943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).