3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine

C12H21N — CID 142000853

IUPAC3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine
SMILESC/C=C\C(=C/C)CC1CCCNC1
InChIInChI=1S/C12H21N/c1-3-6-11(4-2)9-12-7-5-8-13-10-12/h3-4,6,12-13H,5,7-10H2,1-2H3/b6-3-,11-4+
InChIKeyZHTUCRZNIQPNLA-WVVGTSEZSA-N
MW179.31 g/mol
LogP2.90
Rot. Bonds3

About 3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine

3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine (PubChem CID 142000853) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine.

Molecular Properties

Compound Name3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine
PubChem CID142000853
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine
SMILESC/C=C\C(=C/C)CC1CCCNC1
InChIInChI=1S/C12H21N/c1-3-6-11(4-2)9-12-7-5-8-13-10-12/h3-4,6,12-13H,5,7-10H2,1-2H3/b6-3-,11-4+
InChIKeyZHTUCRZNIQPNLA-WVVGTSEZSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.90
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

N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
piperidin-3-ylmethanol
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3-(but-2-enoxymethyl)piperidine
CID 76940393
S-methyl 2-piperidin-3-ylethanethioate
CID 117125822
3-(2,2-dimethylpropyl)piperidine
CID 21041533
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine
CID 143938977
(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine
CID 117266391
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
3-(methylsulfanylmethyl)piperidine
CID 22276228
(3R)-3-[(2S)-2-methylbutyl]piperidine
CID 11744861

Frequently Asked Questions

What is the IUPAC name of 3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine?
The IUPAC name of 3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine (CID 142000853) is 3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine.
What is the SMILES notation for 3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine?
The canonical SMILES for 3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine is C/C=C\C(=C/C)CC1CCCNC1.
What is the InChIKey of 3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine?
The InChIKey is ZHTUCRZNIQPNLA-WVVGTSEZSA-N. The full InChI is InChI=1S/C12H21N/c1-3-6-11(4-2)9-12-7-5-8-13-10-12/h3-4,6,12-13H,5,7-10H2,1-2H3/b6-3-,11-4+.
What are the key properties of 3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine?
3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine has a molecular weight of 179.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine is sourced from PubChem (CID 142000853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).