1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine

C14H27N — CID 90130898

IUPAC1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine
SMILESCC(C)C(C)(C)C/C=C/N1CCCCC1
InChIInChI=1S/C14H27N/c1-13(2)14(3,4)9-8-12-15-10-6-5-7-11-15/h8,12-13H,5-7,9-11H2,1-4H3/b12-8+
InChIKeyMHTRTMHVDPTMDW-XYOKQWHBSA-N
MW209.38 g/mol
LogP4.06
Rot. Bonds4

About 1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine

1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine (PubChem CID 90130898) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine
PubChem CID90130898
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine
SMILESCC(C)C(C)(C)C/C=C/N1CCCCC1
InChIInChI=1S/C14H27N/c1-13(2)14(3,4)9-8-12-15-10-6-5-7-11-15/h8,12-13H,5-7,9-11H2,1-4H3/b12-8+
InChIKeyMHTRTMHVDPTMDW-XYOKQWHBSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine?
The IUPAC name of 1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine (CID 90130898) is 1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine.
What is the SMILES notation for 1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine?
The canonical SMILES for 1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine is CC(C)C(C)(C)C/C=C/N1CCCCC1.
What is the InChIKey of 1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine?
The InChIKey is MHTRTMHVDPTMDW-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H27N/c1-13(2)14(3,4)9-8-12-15-10-6-5-7-11-15/h8,12-13H,5-7,9-11H2,1-4H3/b12-8+.
What are the key properties of 1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine?
1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine has a molecular weight of 209.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine is sourced from PubChem (CID 90130898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).