1-[(E)-hept-3-en-4-yl]piperidine

C12H23N — CID 10397423

IUPAC1-[(E)-hept-3-en-4-yl]piperidine
SMILESCC/C=C(\CCC)N1CCCCC1
InChIInChI=1S/C12H23N/c1-3-8-12(9-4-2)13-10-6-5-7-11-13/h8H,3-7,9-11H2,1-2H3/b12-8+
InChIKeyURKONRMYEDZNOU-XYOKQWHBSA-N
MW181.32 g/mol
LogP3.57
Rot. Bonds4

About 1-[(E)-hept-3-en-4-yl]piperidine

1-[(E)-hept-3-en-4-yl]piperidine (PubChem CID 10397423) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-[(E)-hept-3-en-4-yl]piperidine.

Molecular Properties

Compound Name1-[(E)-hept-3-en-4-yl]piperidine
PubChem CID10397423
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-[(E)-hept-3-en-4-yl]piperidine
SMILESCC/C=C(\CCC)N1CCCCC1
InChIInChI=1S/C12H23N/c1-3-8-12(9-4-2)13-10-6-5-7-11-13/h8H,3-7,9-11H2,1-2H3/b12-8+
InChIKeyURKONRMYEDZNOU-XYOKQWHBSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1-(1-cyclohexen-1-yl)-
CID 18118
Piperidine, 1-(1-cyclopenten-1-yl)-
CID 137114
N,N-Dimethyl-1-cyclohexan-1-amine
CID 139609
N,N-Diethylcyclopent-1-en-1-amine
CID 14610479
1,1-Dimethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide
CID 3025240
1-(2-Methyl-1-pyrrolidinyl)cyclohexene
CID 4674520
9(10)-Dehydroquinolizidine
CID 192825
Pyridine, 1,4,5,6-tetrahydro-1,2-dimethyl-
CID 13679998
2-Pyrroline, 2-n-butyl-1-methyl-
CID 18179222
Pyridine, 1-ethyl-1,2,3,4-tetrahydro-6-methyl-
CID 45087233
1-Cyclohexen-1-amine, N,N-diethyl-
CID 10909775
1-(Cyclohepten-1-yl)piperidine
CID 12492386

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hept-3-en-4-yl]piperidine?
The IUPAC name of 1-[(E)-hept-3-en-4-yl]piperidine (CID 10397423) is 1-[(E)-hept-3-en-4-yl]piperidine.
What is the SMILES notation for 1-[(E)-hept-3-en-4-yl]piperidine?
The canonical SMILES for 1-[(E)-hept-3-en-4-yl]piperidine is CC/C=C(\CCC)N1CCCCC1.
What is the InChIKey of 1-[(E)-hept-3-en-4-yl]piperidine?
The InChIKey is URKONRMYEDZNOU-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H23N/c1-3-8-12(9-4-2)13-10-6-5-7-11-13/h8H,3-7,9-11H2,1-2H3/b12-8+.
What are the key properties of 1-[(E)-hept-3-en-4-yl]piperidine?
1-[(E)-hept-3-en-4-yl]piperidine has a molecular weight of 181.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hept-3-en-4-yl]piperidine is sourced from PubChem (CID 10397423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).