[4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol

C14H26N2O — CID 89182468

IUPAC[4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol
SMILESC=C/C(=C\CCCC1(CO)CCNCC1)CN
InChIInChI=1S/C14H26N2O/c1-2-13(11-15)5-3-4-6-14(12-17)7-9-16-10-8-14/h2,5,16-17H,1,3-4,6-12,15H2/b13-5+
InChIKeyJHYBSTOTWXNCLT-WLRTZDKTSA-N
MW238.37 g/mol
LogP1.59
Rot. Bonds7

About [4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol

[4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol (PubChem CID 89182468) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol
PubChem CID89182468
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol
SMILESC=C/C(=C\CCCC1(CO)CCNCC1)CN
InChIInChI=1S/C14H26N2O/c1-2-13(11-15)5-3-4-6-14(12-17)7-9-16-10-8-14/h2,5,16-17H,1,3-4,6-12,15H2/b13-5+
InChIKeyJHYBSTOTWXNCLT-WLRTZDKTSA-N
XLogP1.59
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol (CID 89182468) is [4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol is C=C/C(=C\CCCC1(CO)CCNCC1)CN.
What is the InChIKey of [4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol?
The InChIKey is JHYBSTOTWXNCLT-WLRTZDKTSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-13(11-15)5-3-4-6-14(12-17)7-9-16-10-8-14/h2,5,16-17H,1,3-4,6-12,15H2/b13-5+.
What are the key properties of [4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol?
[4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol has a molecular weight of 238.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4E)-5-(aminomethyl)hepta-4,6-dienyl]piperidin-4-yl]methanol is sourced from PubChem (CID 89182468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).