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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Related Compounds

(4Z,5E)-4-ethylidene-5-fluoro-2-methyl-2-[3-(methylamino)propyl]octa-5,7-dien-1-ol
CID 144407121
[4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidin-3-yl]methanol
CID 164007189
[(3R)-3-prop-2-enylpiperidin-3-yl]methanol
CID 129416121
[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol
CID 70634236
(2E)-2-ethenyl-1-piperidin-3-ylpenta-2,4-dien-1-ol
CID 88267971
(Z,3E)-3-ethylidene-2-(3-ethylpiperidin-3-yl)hept-4-en-2-ol
CID 88870555
[4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol
CID 89182468
[(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol
CID 130271490
(5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol
CID 130414677
1-(4-Cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol
CID 134375505
2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol
CID 134382696
[4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol
CID 142172425

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).