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

C12H19NO — CID 143618659

IUPAC[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C=C(\C=C)C1(CO)CCNCC1
InChIInChI=1S/C12H19NO/c1-3-5-11(4-2)12(10-14)6-8-13-9-7-12/h3-5,13-14H,1-2,6-10H2/b11-5+
InChIKeyOGZFYRVXIUAZBK-VZUCSPMQSA-N
MW193.29 g/mol
LogP1.65
Rot. Bonds4

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

[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (PubChem CID 143618659) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
PubChem CID143618659
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C=C(\C=C)C1(CO)CCNCC1
InChIInChI=1S/C12H19NO/c1-3-5-11(4-2)12(10-14)6-8-13-9-7-12/h3-5,13-14H,1-2,6-10H2/b11-5+
InChIKeyOGZFYRVXIUAZBK-VZUCSPMQSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.65
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

(4-Ethenylpiperidin-4-yl)methanol
CID 146049241
[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015032
[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 142015597
[(3E,4S)-3-ethylidenepiperidin-4-yl]methanol
CID 68026897
[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol
CID 70634236
(3-Ethylidenepiperidin-4-yl)methanol
CID 77395353
[4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol
CID 89182468
[4-Methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
CID 91242625
4-Hexa-1,3,5-trien-3-ylpiperidin-3-ol
CID 123244966
1-(4-Cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol
CID 134375505
ethane;(3S,4S)-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-3-ol
CID 141884083
(3R,5Z,7Z)-1,3-dimethyl-3-[2-(methylamino)ethyl]-4,9-dihydro-2H-azonin-2-ol;ethene
CID 141948056

Frequently Asked Questions

What is the IUPAC name of [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (CID 143618659) is [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is C=C/C=C(\C=C)C1(CO)CCNCC1.
What is the InChIKey of [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The InChIKey is OGZFYRVXIUAZBK-VZUCSPMQSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-11(4-2)12(10-14)6-8-13-9-7-12/h3-5,13-14H,1-2,6-10H2/b11-5+.
What are the key properties of [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol has a molecular weight of 193.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 143618659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).