[1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol

C14H23NO2 — CID 145107636

IUPAC[1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol
SMILESC=C/C=C(\C=C)OCCN1CCC(CO)CC1
InChIInChI=1S/C14H23NO2/c1-3-5-14(4-2)17-11-10-15-8-6-13(12-16)7-9-15/h3-5,13,16H,1-2,6-12H2/b14-5+
InChIKeyKFOOOPDUMZIQLZ-LHHJGKSTSA-N
MW237.34 g/mol
LogP1.96
Rot. Bonds7

About [1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol

[1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol (PubChem CID 145107636) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol
PubChem CID145107636
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol
SMILESC=C/C=C(\C=C)OCCN1CCC(CO)CC1
InChIInChI=1S/C14H23NO2/c1-3-5-14(4-2)17-11-10-15-8-6-13(12-16)7-9-15/h3-5,13,16H,1-2,6-12H2/b14-5+
InChIKeyKFOOOPDUMZIQLZ-LHHJGKSTSA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol (CID 145107636) is [1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol is C=C/C=C(\C=C)OCCN1CCC(CO)CC1.
What is the InChIKey of [1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol?
The InChIKey is KFOOOPDUMZIQLZ-LHHJGKSTSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-14(4-2)17-11-10-15-8-6-13(12-16)7-9-15/h3-5,13,16H,1-2,6-12H2/b14-5+.
What are the key properties of [1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol?
[1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol has a molecular weight of 237.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 145107636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).