[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol

C16H25NO — CID 143533082

IUPAC[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol
SMILESC=C/C=C\C(=C/C=C)CN1CCC(C)(CO)CC1
InChIInChI=1S/C16H25NO/c1-4-6-8-15(7-5-2)13-17-11-9-16(3,14-18)10-12-17/h4-8,18H,1-2,9-14H2,3H3/b8-6-,15-7+
InChIKeyGZQWHHKDCNNAPI-XXFHCLJSSA-N
MW247.38 g/mol
LogP2.94
Rot. Bonds6

About [4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol

[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol (PubChem CID 143533082) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol
PubChem CID143533082
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol
SMILESC=C/C=C\C(=C/C=C)CN1CCC(C)(CO)CC1
InChIInChI=1S/C16H25NO/c1-4-6-8-15(7-5-2)13-17-11-9-16(3,14-18)10-12-17/h4-8,18H,1-2,9-14H2,3H3/b8-6-,15-7+
InChIKeyGZQWHHKDCNNAPI-XXFHCLJSSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
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 [4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol?
The IUPAC name of [4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol (CID 143533082) is [4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol is C=C/C=C\C(=C/C=C)CN1CCC(C)(CO)CC1.
What is the InChIKey of [4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol?
The InChIKey is GZQWHHKDCNNAPI-XXFHCLJSSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-6-8-15(7-5-2)13-17-11-9-16(3,14-18)10-12-17/h4-8,18H,1-2,9-14H2,3H3/b8-6-,15-7+.
What are the key properties of [4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol?
[4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol has a molecular weight of 247.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperidin-4-yl]methanol is sourced from PubChem (CID 143533082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).