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

C15H29NO — CID 143269832

IUPACethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol
SMILESC/C=C\C(=C/C)CC1(CO)CCCNC1.CC
InChIInChI=1S/C13H23NO.C2H6/c1-3-6-12(4-2)9-13(11-15)7-5-8-14-10-13;1-2/h3-4,6,14-15H,5,7-11H2,1-2H3;1-2H3/b6-3-,12-4+;
InChIKeySTUDUZBEYBROEI-VGIJGPJPSA-N
MW239.40 g/mol
LogP3.29
Rot. Bonds4

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

ethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol (PubChem CID 143269832) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Nameethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol
PubChem CID143269832
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol
SMILESC/C=C\C(=C/C)CC1(CO)CCCNC1.CC
InChIInChI=1S/C13H23NO.C2H6/c1-3-6-12(4-2)9-13(11-15)7-5-8-14-10-13;1-2/h3-4,6,14-15H,5,7-11H2,1-2H3;1-2H3/b6-3-,12-4+;
InChIKeySTUDUZBEYBROEI-VGIJGPJPSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.29
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 ethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol?
The IUPAC name of ethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol (CID 143269832) is ethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol.
What is the SMILES notation for ethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol?
The canonical SMILES for ethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol is C/C=C\C(=C/C)CC1(CO)CCCNC1.CC.
What is the InChIKey of ethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol?
The InChIKey is STUDUZBEYBROEI-VGIJGPJPSA-N. The full InChI is InChI=1S/C13H23NO.C2H6/c1-3-6-12(4-2)9-13(11-15)7-5-8-14-10-13;1-2/h3-4,6,14-15H,5,7-11H2,1-2H3;1-2H3/b6-3-,12-4+;.
What are the key properties of ethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol?
ethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol has a molecular weight of 239.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol is sourced from PubChem (CID 143269832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).