1-[(2E)-2-propylpenta-2,4-dienyl]piperidine

C13H23N — CID 144806712

IUPAC1-[(2E)-2-propylpenta-2,4-dienyl]piperidine
SMILESC=C/C=C(\CCC)CN1CCCCC1
InChIInChI=1S/C13H23N/c1-3-8-13(9-4-2)12-14-10-6-5-7-11-14/h3,8H,1,4-7,9-12H2,2H3/b13-8+
InChIKeyWJJNKKVILWKKCZ-MDWZMJQESA-N
MW193.33 g/mol
LogP3.38
Rot. Bonds5

About 1-[(2E)-2-propylpenta-2,4-dienyl]piperidine

1-[(2E)-2-propylpenta-2,4-dienyl]piperidine (PubChem CID 144806712) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-[(2E)-2-propylpenta-2,4-dienyl]piperidine.

Molecular Properties

Compound Name1-[(2E)-2-propylpenta-2,4-dienyl]piperidine
PubChem CID144806712
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-[(2E)-2-propylpenta-2,4-dienyl]piperidine
SMILESC=C/C=C(\CCC)CN1CCCCC1
InChIInChI=1S/C13H23N/c1-3-8-13(9-4-2)12-14-10-6-5-7-11-14/h3,8H,1,4-7,9-12H2,2H3/b13-8+
InChIKeyWJJNKKVILWKKCZ-MDWZMJQESA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-ethylbut-2-enyl]pyrrolidine
CID 70169991
1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine
CID 144835688
ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
CID 166529175
prop-1-ene;1-propylpyrrolidine
CID 143531885
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026882
2-propylpent-1-enyl(3-pyrrolidin-1-ylpropyl)silane
CID 154156246
(3Z)-hepta-1,3-dien-4-ol
CID 23128228
methanol;1-propylpiperidine
CID 171515121
1-pentylpiperidine;prop-1-ene
CID 174775307
3-(azocan-1-yl)prop-1-en-2-yl-diethylsilane
CID 173072150
4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine
CID 70026725
tributyl(3-piperidin-1-ylprop-1-en-2-yl)stannane
CID 11080173

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-propylpenta-2,4-dienyl]piperidine?
The IUPAC name of 1-[(2E)-2-propylpenta-2,4-dienyl]piperidine (CID 144806712) is 1-[(2E)-2-propylpenta-2,4-dienyl]piperidine.
What is the SMILES notation for 1-[(2E)-2-propylpenta-2,4-dienyl]piperidine?
The canonical SMILES for 1-[(2E)-2-propylpenta-2,4-dienyl]piperidine is C=C/C=C(\CCC)CN1CCCCC1.
What is the InChIKey of 1-[(2E)-2-propylpenta-2,4-dienyl]piperidine?
The InChIKey is WJJNKKVILWKKCZ-MDWZMJQESA-N. The full InChI is InChI=1S/C13H23N/c1-3-8-13(9-4-2)12-14-10-6-5-7-11-14/h3,8H,1,4-7,9-12H2,2H3/b13-8+.
What are the key properties of 1-[(2E)-2-propylpenta-2,4-dienyl]piperidine?
1-[(2E)-2-propylpenta-2,4-dienyl]piperidine has a molecular weight of 193.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-propylpenta-2,4-dienyl]piperidine is sourced from PubChem (CID 144806712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).