2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol

C15H27NO — CID 134382696

IUPAC2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol
SMILESCCC/C=C\C=C(/C)C1CC(CCO)CCN1
InChIInChI=1S/C15H27NO/c1-3-4-5-6-7-13(2)15-12-14(9-11-17)8-10-16-15/h5-7,14-17H,3-4,8-12H2,1-2H3/b6-5-,13-7+
InChIKeyYXKYOUPOKGBRQO-RKOYKYSNSA-N
MW237.39 g/mol
LogP3.04
Rot. Bonds6

About 2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol

2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol (PubChem CID 134382696) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol
PubChem CID134382696
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol
SMILESCCC/C=C\C=C(/C)C1CC(CCO)CCN1
InChIInChI=1S/C15H27NO/c1-3-4-5-6-7-13(2)15-12-14(9-11-17)8-10-16-15/h5-7,14-17H,3-4,8-12H2,1-2H3/b6-5-,13-7+
InChIKeyYXKYOUPOKGBRQO-RKOYKYSNSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.04
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 2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol (CID 134382696) is 2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol is CCC/C=C\C=C(/C)C1CC(CCO)CCN1.
What is the InChIKey of 2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol?
The InChIKey is YXKYOUPOKGBRQO-RKOYKYSNSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-4-5-6-7-13(2)15-12-14(9-11-17)8-10-16-15/h5-7,14-17H,3-4,8-12H2,1-2H3/b6-5-,13-7+.
What are the key properties of 2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol?
2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol has a molecular weight of 237.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 134382696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).