[1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol

C14H23NO — CID 145440061

IUPAC[1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol
SMILESC=C/C=C(\C=C)CN1CCC(C)(CO)CC1
InChIInChI=1S/C14H23NO/c1-4-6-13(5-2)11-15-9-7-14(3,12-16)8-10-15/h4-6,16H,1-2,7-12H2,3H3/b13-6+
InChIKeyUHCAWXFLVLCSQC-AWNIVKPZSA-N
MW221.34 g/mol
LogP2.38
Rot. Bonds5

About [1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol

[1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol (PubChem CID 145440061) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol
PubChem CID145440061
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol
SMILESC=C/C=C(\C=C)CN1CCC(C)(CO)CC1
InChIInChI=1S/C14H23NO/c1-4-6-13(5-2)11-15-9-7-14(3,12-16)8-10-15/h4-6,16H,1-2,7-12H2,3H3/b13-6+
InChIKeyUHCAWXFLVLCSQC-AWNIVKPZSA-N
XLogP2.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(3-hexa-2,4-dien-3-yl-1-methyl-4,7-dihydro-2H-azepin-3-yl)ethanol
CID 91098845
[1-(Cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol
CID 118281619
[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol
CID 122535899
[4-Methyl-1-[2-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]piperidin-4-yl]methanol
CID 142067485
[1-[(3Z,5Z)-2-methylocta-3,5-dienyl]piperidin-4-yl]methanol
CID 142940201
ethane;[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol
CID 143533081
[1-Methyl-4-(prop-2-en-1-yl)piperidin-4-yl]methanol
CID 143739834
ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine
CID 144430999
ethane;ethanol;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine
CID 144671472
2-[[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-methylamino]methyl]-2-ethylpentan-1-ol
CID 145441255
[1-[(3E,5Z)-5-methylhepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 153547216
(4-Ethenyl-1-pentylpiperidin-4-yl)methanol
CID 167131750

Frequently Asked Questions

What is the IUPAC name of [1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol?
The IUPAC name of [1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol (CID 145440061) is [1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol?
The canonical SMILES for [1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol is C=C/C=C(\C=C)CN1CCC(C)(CO)CC1.
What is the InChIKey of [1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol?
The InChIKey is UHCAWXFLVLCSQC-AWNIVKPZSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-13(5-2)11-15-9-7-14(3,12-16)8-10-15/h4-6,16H,1-2,7-12H2,3H3/b13-6+.
What are the key properties of [1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol?
[1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol has a molecular weight of 221.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 145440061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).