[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol

C13H23NO — CID 143269833

IUPAC[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol
SMILESC/C=C\C(=C/C)CC1(CO)CCCNC1
InChIInChI=1S/C13H23NO/c1-3-6-12(4-2)9-13(11-15)7-5-8-14-10-13/h3-4,6,14-15H,5,7-11H2,1-2H3/b6-3-,12-4+
InChIKeyYIFRLWWNPFZKSA-OJCJLYEQSA-N
MW209.33 g/mol
LogP2.26
Rot. Bonds4

About [3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol

[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol (PubChem CID 143269833) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol
PubChem CID143269833
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol
SMILESC/C=C\C(=C/C)CC1(CO)CCCNC1
InChIInChI=1S/C13H23NO/c1-3-6-12(4-2)9-13(11-15)7-5-8-14-10-13/h3-4,6,14-15H,5,7-11H2,1-2H3/b6-3-,12-4+
InChIKeyYIFRLWWNPFZKSA-OJCJLYEQSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol (CID 143269833) is [3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol is C/C=C\C(=C/C)CC1(CO)CCCNC1.
What is the InChIKey of [3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol?
The InChIKey is YIFRLWWNPFZKSA-OJCJLYEQSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-6-12(4-2)9-13(11-15)7-5-8-14-10-13/h3-4,6,14-15H,5,7-11H2,1-2H3/b6-3-,12-4+.
What are the key properties of [3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol?
[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol has a molecular weight of 209.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol is sourced from PubChem (CID 143269833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).