3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine

C13H21N — CID 143938977

IUPAC3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine
SMILESC=C/C=C(C)\C=C/CC1CCCNC1
InChIInChI=1S/C13H21N/c1-3-6-12(2)7-4-8-13-9-5-10-14-11-13/h3-4,6-7,13-14H,1,5,8-11H2,2H3/b7-4-,12-6-
InChIKeyRDHWKJMZOALBAJ-WDWCXKIISA-N
MW191.32 g/mol
LogP3.06
Rot. Bonds4

About 3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine

3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine (PubChem CID 143938977) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine.

Molecular Properties

Compound Name3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine
PubChem CID143938977
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine
SMILESC=C/C=C(C)\C=C/CC1CCCNC1
InChIInChI=1S/C13H21N/c1-3-6-12(2)7-4-8-13-9-5-10-14-11-13/h3-4,6-7,13-14H,1,5,8-11H2,2H3/b7-4-,12-6-
InChIKeyRDHWKJMZOALBAJ-WDWCXKIISA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-piperidin-3-ylpent-3-enal
CID 117267797
3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine
CID 142000853
piperidin-3-ylmethanol
CID 161361606
3-but-2-enylpyrrolidine
CID 54482809
3-(3-phenylprop-2-enyl)piperidine
CID 141263506
3-(2-cyclobutylpropyl)piperidine
CID 130987572
N-methyl-N-(piperidin-3-ylmethyl)pent-4-en-1-amine
CID 115741609
3-(2,2-dimethylpropyl)piperidine
CID 21041533
[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
(3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320862
2-piperidin-3-yl-N-prop-2-enylacetamide
CID 62676827

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine?
The IUPAC name of 3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine (CID 143938977) is 3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine.
What is the SMILES notation for 3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine?
The canonical SMILES for 3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine is C=C/C=C(C)\C=C/CC1CCCNC1.
What is the InChIKey of 3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine?
The InChIKey is RDHWKJMZOALBAJ-WDWCXKIISA-N. The full InChI is InChI=1S/C13H21N/c1-3-6-12(2)7-4-8-13-9-5-10-14-11-13/h3-4,6-7,13-14H,1,5,8-11H2,2H3/b7-4-,12-6-.
What are the key properties of 3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine?
3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine has a molecular weight of 191.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine is sourced from PubChem (CID 143938977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).