[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone

C15H22N2O2 — CID 156514453

IUPAC[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone
SMILESC=C/C=C(\C=C/C)N1CCN(C(=O)C2CC2O)CC1
InChIInChI=1S/C15H22N2O2/c1-3-5-12(6-4-2)16-7-9-17(10-8-16)15(19)13-11-14(13)18/h3-6,13-14,18H,1,7-11H2,2H3/b6-4-,12-5+
InChIKeyJRHWLDRYYPFZNB-GLNLJRCCSA-N
MW262.35 g/mol
LogP1.16
Rot. Bonds4

About [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone

[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone (PubChem CID 156514453) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone.

Molecular Properties

Compound Name[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone
PubChem CID156514453
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone
SMILESC=C/C=C(\C=C/C)N1CCN(C(=O)C2CC2O)CC1
InChIInChI=1S/C15H22N2O2/c1-3-5-12(6-4-2)16-7-9-17(10-8-16)15(19)13-11-14(13)18/h3-6,13-14,18H,1,7-11H2,2H3/b6-4-,12-5+
InChIKeyJRHWLDRYYPFZNB-GLNLJRCCSA-N
XLogP1.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone?
The IUPAC name of [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone (CID 156514453) is [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone.
What is the SMILES notation for [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone?
The canonical SMILES for [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone is C=C/C=C(\C=C/C)N1CCN(C(=O)C2CC2O)CC1.
What is the InChIKey of [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone?
The InChIKey is JRHWLDRYYPFZNB-GLNLJRCCSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-5-12(6-4-2)16-7-9-17(10-8-16)15(19)13-11-14(13)18/h3-6,13-14,18H,1,7-11H2,2H3/b6-4-,12-5+.
What are the key properties of [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone?
[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone is sourced from PubChem (CID 156514453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).